USER MOD reduce.3.24.130724 H: found=0, std=0, add=743, rem=0, adj=24 USER MOD reduce.3.24.130724 removed 741 hydrogens (0 hets) USER MOD ----------------------------------------------------------------- USER MOD scores for adjustable sidechains, with "set" totals for H,N and Q USER MOD "o" means original, "f" means flipped, "180deg" is methyl default USER MOD "!" flags a clash with an overlap of 0.40A or greater USER MOD flip categories: "K"=keep, "C"=clashes, "X"=uncertain, "F"=flip USER MOD Set 1.1: A 84 HIS : no HD1:sc= 1.76 K(o=3.1,f=-5!) USER MOD Set 1.2: A 86 THR OG1 : rot -95:sc= 1.32 USER MOD Set 2.1: A 20 SER OG : rot -172:sc= 0.392 USER MOD Set 2.2: A 71 THR OG1 : rot 180:sc= 0 USER MOD Set 3.1: A 10 TYR OH : rot 104:sc= 0.166 USER MOD Set 3.2: A 24 ASN : amide:sc= -0.633 X(o=-0.47,f=-0.21) USER MOD Single : A 2 GLN : amide:sc= 0 X(o=0,f=0) USER MOD Single : A 4 THR OG1 : rot 180:sc= 0.0137 USER MOD Single : A 6 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 8 GLN : amide:sc= 0 K(o=0,f=-0.63) USER MOD Single : A 11 SER OG : rot -78:sc= 0.913 USER MOD Single : A 13 HIS : no HD1:sc= -0.0385 K(o=-0.038,f=-1.2) USER MOD Single : A 17 ASN : amide:sc= -0.0153 X(o=-0.015,f=0) USER MOD Single : A 19 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD Single : A 21 ASN : amide:sc= -0.0536 K(o=-0.054,f=-3.2!) USER MOD Single : A 26 TYR OH : rot 138:sc= 0.373 USER MOD Single : A 28 SER OG : rot -138:sc= 0.206 USER MOD Single : A 31 HIS : no HD1:sc= 0 X(o=0,f=-0.053) USER MOD Single : A 33 SER OG : rot -41:sc= 0.453 USER MOD Single : A 41 LYS NZ :NH3+ -145:sc= 0.406 (180deg=-0.0803) USER MOD Single : A 42 ASN : amide:sc= -0.0759 K(o=-0.076,f=-0.79) USER MOD Single : A 48 LYS NZ :NH3+ 169:sc= 0 (180deg=-0.085) USER MOD Single : A 51 HIS : no HD1:sc= 0 X(o=0,f=-0.18) USER MOD Single : A 52 SER OG : rot 180:sc= 0 USER MOD Single : A 55 SER OG : rot 180:sc= 0 USER MOD Single : A 57 SER OG : rot -18:sc= 0.548 USER MOD Single : A 61 SER OG : rot 180:sc= 0 USER MOD Single : A 63 TYR OH : rot 180:sc= 0 USER MOD Single : A 66 TYR OH : rot 180:sc= 0 USER MOD Single : A 67 TYR OH : rot 180:sc= 0 USER MOD Single : A 68 THR OG1 : rot -130:sc= 0 USER MOD Single : A 73 THR OG1 : rot 180:sc= 0 USER MOD Single : A 75 LYS NZ :NH3+ -171:sc=-0.00595 (180deg=-0.0913) USER MOD Single : A 78 TYR OH : rot 166:sc= 0 USER MOD Single : A 83 ASN : amide:sc= -0.175 X(o=-0.18,f=-0.67) USER MOD Single : A 88 SER OG : rot 180:sc= 0 USER MOD Single : A 89 GLN : amide:sc= 0 K(o=0,f=-0.65) USER MOD Single : A 91 LYS NZ :NH3+ -167:sc=-0.00793 (180deg=-0.172) USER MOD Single : A 94 LYS NZ :NH3+ 180:sc= 0 (180deg=0) USER MOD ----------------------------------------------------------------- ATOM 39 N GLN A 2 2.568 -5.931 -3.316 1.00 71.33 N ATOM 40 CA GLN A 2 2.917 -6.637 -4.541 1.00 11.00 C ATOM 41 C GLN A 2 3.814 -7.831 -4.216 1.00 75.34 C ATOM 42 O GLN A 2 4.984 -7.856 -4.594 1.00 52.33 O ATOM 43 CB GLN A 2 3.579 -5.656 -5.518 1.00 73.41 C ATOM 44 CG GLN A 2 2.564 -4.619 -6.013 1.00 11.33 C ATOM 45 CD GLN A 2 3.181 -3.679 -7.044 1.00 44.31 C ATOM 46 OE1 GLN A 2 3.515 -2.540 -6.726 1.00 22.23 O ATOM 47 NE2 GLN A 2 3.324 -4.152 -8.285 1.00 13.14 N ATOM 0 HA GLN A 2 2.021 -7.031 -5.021 1.00 11.00 H new ATOM 0 HB2 GLN A 2 4.412 -5.152 -5.027 1.00 73.41 H new ATOM 0 HB3 GLN A 2 3.992 -6.202 -6.366 1.00 73.41 H new ATOM 0 HG2 GLN A 2 1.706 -5.129 -6.452 1.00 11.33 H new ATOM 0 HG3 GLN A 2 2.193 -4.040 -5.168 1.00 11.33 H new ATOM 0 HE21 GLN A 2 3.033 -5.105 -8.504 1.00 13.14 H new ATOM 0 HE22 GLN A 2 3.724 -3.561 -9.013 1.00 13.14 H new ATOM 56 N ARG A 3 3.255 -8.831 -3.522 1.00 24.42 N ATOM 57 CA ARG A 3 3.955 -10.074 -3.227 1.00 52.22 C ATOM 58 C ARG A 3 4.031 -10.939 -4.484 1.00 44.14 C ATOM 59 O ARG A 3 3.069 -11.032 -5.244 1.00 22.22 O ATOM 60 CB ARG A 3 3.261 -10.841 -2.094 1.00 72.45 C ATOM 61 CG ARG A 3 3.433 -10.200 -0.711 1.00 21.35 C ATOM 62 CD ARG A 3 4.891 -10.261 -0.235 1.00 3.25 C ATOM 63 NE ARG A 3 5.021 -9.897 1.181 1.00 13.54 N ATOM 64 CZ ARG A 3 6.177 -9.936 1.867 1.00 33.23 C ATOM 65 NH1 ARG A 3 7.316 -10.323 1.272 1.00 12.50 N ATOM 66 NH2 ARG A 3 6.196 -9.585 3.160 1.00 13.44 N ATOM 0 H ARG A 3 2.305 -8.795 -3.152 1.00 24.42 H new ATOM 0 HA ARG A 3 4.966 -9.830 -2.899 1.00 52.22 H new ATOM 0 HB2 ARG A 3 2.197 -10.917 -2.319 1.00 72.45 H new ATOM 0 HB3 ARG A 3 3.653 -11.858 -2.063 1.00 72.45 H new ATOM 0 HG2 ARG A 3 3.105 -9.161 -0.748 1.00 21.35 H new ATOM 0 HG3 ARG A 3 2.793 -10.711 0.009 1.00 21.35 H new ATOM 0 HD2 ARG A 3 5.281 -11.267 -0.388 1.00 3.25 H new ATOM 0 HD3 ARG A 3 5.499 -9.588 -0.840 1.00 3.25 H new ATOM 0 HE ARG A 3 4.182 -9.595 1.676 1.00 13.54 H new ATOM 0 HH11 ARG A 3 7.312 -10.592 0.288 1.00 12.50 H new ATOM 0 HH12 ARG A 3 8.186 -10.348 1.804 1.00 12.50 H new ATOM 0 HH21 ARG A 3 5.335 -9.289 3.621 1.00 13.44 H new ATOM 0 HH22 ARG A 3 7.071 -9.613 3.683 1.00 13.44 H new ATOM 80 N THR A 4 5.195 -11.565 -4.682 1.00 51.45 N ATOM 81 CA THR A 4 5.508 -12.419 -5.816 1.00 73.33 C ATOM 82 C THR A 4 5.188 -13.881 -5.471 1.00 60.13 C ATOM 83 O THR A 4 5.133 -14.231 -4.292 1.00 51.05 O ATOM 84 CB THR A 4 7.002 -12.246 -6.146 1.00 13.40 C ATOM 85 OG1 THR A 4 7.787 -12.547 -5.010 1.00 33.43 O ATOM 86 CG2 THR A 4 7.310 -10.816 -6.604 1.00 11.25 C ATOM 0 H THR A 4 5.972 -11.483 -4.026 1.00 51.45 H new ATOM 0 HA THR A 4 4.908 -12.142 -6.683 1.00 73.33 H new ATOM 0 HB THR A 4 7.243 -12.932 -6.958 1.00 13.40 H new ATOM 0 HG1 THR A 4 8.736 -12.436 -5.229 1.00 33.43 H new ATOM 0 HG21 THR A 4 8.373 -10.727 -6.829 1.00 11.25 H new ATOM 0 HG22 THR A 4 6.729 -10.587 -7.498 1.00 11.25 H new ATOM 0 HG23 THR A 4 7.047 -10.116 -5.811 1.00 11.25 H new ATOM 94 N PRO A 5 4.993 -14.749 -6.478 1.00 54.01 N ATOM 95 CA PRO A 5 4.801 -16.179 -6.280 1.00 5.11 C ATOM 96 C PRO A 5 6.037 -16.833 -5.654 1.00 73.53 C ATOM 97 O PRO A 5 7.137 -16.716 -6.191 1.00 2.12 O ATOM 98 CB PRO A 5 4.523 -16.757 -7.674 1.00 71.25 C ATOM 99 CG PRO A 5 5.095 -15.721 -8.640 1.00 32.21 C ATOM 100 CD PRO A 5 4.908 -14.407 -7.890 1.00 64.32 C ATOM 0 HA PRO A 5 3.979 -16.372 -5.590 1.00 5.11 H new ATOM 0 HB2 PRO A 5 5.002 -17.727 -7.804 1.00 71.25 H new ATOM 0 HB3 PRO A 5 3.455 -16.904 -7.837 1.00 71.25 H new ATOM 0 HG2 PRO A 5 6.145 -15.913 -8.861 1.00 32.21 H new ATOM 0 HG3 PRO A 5 4.564 -15.721 -9.592 1.00 32.21 H new ATOM 0 HD2 PRO A 5 5.677 -13.685 -8.166 1.00 64.32 H new ATOM 0 HD3 PRO A 5 3.945 -13.954 -8.127 1.00 64.32 H new ATOM 108 N LYS A 6 5.836 -17.555 -4.541 1.00 31.20 N ATOM 109 CA LYS A 6 6.830 -18.451 -3.969 1.00 12.41 C ATOM 110 C LYS A 6 6.840 -19.726 -4.809 1.00 21.23 C ATOM 111 O LYS A 6 5.797 -20.352 -4.999 1.00 3.45 O ATOM 112 CB LYS A 6 6.490 -18.767 -2.507 1.00 23.33 C ATOM 113 CG LYS A 6 7.543 -19.696 -1.884 1.00 33.40 C ATOM 114 CD LYS A 6 7.367 -19.884 -0.371 1.00 31.13 C ATOM 115 CE LYS A 6 5.989 -20.448 -0.013 1.00 32.43 C ATOM 116 NZ LYS A 6 5.911 -20.837 1.404 1.00 3.04 N ATOM 0 H LYS A 6 4.964 -17.526 -4.012 1.00 31.20 H new ATOM 0 HA LYS A 6 7.815 -17.984 -3.980 1.00 12.41 H new ATOM 0 HB2 LYS A 6 6.433 -17.841 -1.935 1.00 23.33 H new ATOM 0 HB3 LYS A 6 5.508 -19.236 -2.452 1.00 23.33 H new ATOM 0 HG2 LYS A 6 7.493 -20.669 -2.372 1.00 33.40 H new ATOM 0 HG3 LYS A 6 8.536 -19.291 -2.080 1.00 33.40 H new ATOM 0 HD2 LYS A 6 8.140 -20.556 0.002 1.00 31.13 H new ATOM 0 HD3 LYS A 6 7.507 -18.927 0.131 1.00 31.13 H new ATOM 0 HE2 LYS A 6 5.224 -19.702 -0.228 1.00 32.43 H new ATOM 0 HE3 LYS A 6 5.776 -21.314 -0.640 1.00 32.43 H new ATOM 0 HZ1 LYS A 6 4.964 -21.214 1.609 1.00 3.04 H new ATOM 0 HZ2 LYS A 6 6.625 -21.567 1.603 1.00 3.04 H new ATOM 0 HZ3 LYS A 6 6.089 -20.005 2.003 1.00 3.04 H new ATOM 130 N ILE A 7 8.019 -20.089 -5.321 1.00 71.51 N ATOM 131 CA ILE A 7 8.186 -21.173 -6.271 1.00 0.21 C ATOM 132 C ILE A 7 8.552 -22.453 -5.516 1.00 20.30 C ATOM 133 O ILE A 7 9.596 -22.503 -4.867 1.00 25.35 O ATOM 134 CB ILE A 7 9.259 -20.780 -7.303 1.00 1.45 C ATOM 135 CG1 ILE A 7 8.916 -19.455 -8.018 1.00 22.32 C ATOM 136 CG2 ILE A 7 9.374 -21.890 -8.347 1.00 0.21 C ATOM 137 CD1 ILE A 7 9.703 -18.268 -7.452 1.00 21.13 C ATOM 0 H ILE A 7 8.894 -19.625 -5.078 1.00 71.51 H new ATOM 0 HA ILE A 7 7.258 -21.361 -6.811 1.00 0.21 H new ATOM 0 HB ILE A 7 10.201 -20.642 -6.772 1.00 1.45 H new ATOM 0 HG12 ILE A 7 9.128 -19.554 -9.083 1.00 22.32 H new ATOM 0 HG13 ILE A 7 7.848 -19.259 -7.922 1.00 22.32 H new ATOM 0 HG21 ILE A 7 10.132 -21.621 -9.083 1.00 0.21 H new ATOM 0 HG22 ILE A 7 9.658 -22.822 -7.858 1.00 0.21 H new ATOM 0 HG23 ILE A 7 8.414 -22.021 -8.846 1.00 0.21 H new ATOM 0 HD11 ILE A 7 9.427 -17.360 -7.988 1.00 21.13 H new ATOM 0 HD12 ILE A 7 9.472 -18.150 -6.393 1.00 21.13 H new ATOM 0 HD13 ILE A 7 10.771 -18.449 -7.572 1.00 21.13 H new ATOM 149 N GLN A 8 7.696 -23.481 -5.610 1.00 12.20 N ATOM 150 CA GLN A 8 7.924 -24.800 -5.029 1.00 3.21 C ATOM 151 C GLN A 8 7.393 -25.865 -5.996 1.00 20.13 C ATOM 152 O GLN A 8 6.321 -26.428 -5.780 1.00 51.41 O ATOM 153 CB GLN A 8 7.261 -24.908 -3.645 1.00 61.14 C ATOM 154 CG GLN A 8 7.867 -23.943 -2.616 1.00 20.24 C ATOM 155 CD GLN A 8 7.303 -24.145 -1.210 1.00 54.21 C ATOM 156 OE1 GLN A 8 6.313 -24.848 -1.016 1.00 5.34 O ATOM 157 NE2 GLN A 8 7.939 -23.520 -0.216 1.00 0.04 N ATOM 0 H GLN A 8 6.807 -23.410 -6.105 1.00 12.20 H new ATOM 0 HA GLN A 8 8.992 -24.959 -4.881 1.00 3.21 H new ATOM 0 HB2 GLN A 8 6.194 -24.705 -3.742 1.00 61.14 H new ATOM 0 HB3 GLN A 8 7.359 -25.930 -3.279 1.00 61.14 H new ATOM 0 HG2 GLN A 8 8.948 -24.078 -2.591 1.00 20.24 H new ATOM 0 HG3 GLN A 8 7.681 -22.917 -2.933 1.00 20.24 H new ATOM 0 HE21 GLN A 8 8.757 -22.945 -0.416 1.00 0.04 H new ATOM 0 HE22 GLN A 8 7.606 -23.618 0.743 1.00 0.04 H new ATOM 166 N VAL A 9 8.155 -26.125 -7.066 1.00 33.54 N ATOM 167 CA VAL A 9 7.831 -27.092 -8.109 1.00 60.14 C ATOM 168 C VAL A 9 8.543 -28.407 -7.807 1.00 43.22 C ATOM 169 O VAL A 9 9.728 -28.550 -8.105 1.00 3.21 O ATOM 170 CB VAL A 9 8.241 -26.525 -9.473 1.00 32.24 C ATOM 171 CG1 VAL A 9 7.943 -27.518 -10.602 1.00 13.12 C ATOM 172 CG2 VAL A 9 7.525 -25.197 -9.747 1.00 33.54 C ATOM 0 H VAL A 9 9.042 -25.649 -7.230 1.00 33.54 H new ATOM 0 HA VAL A 9 6.758 -27.284 -8.135 1.00 60.14 H new ATOM 0 HB VAL A 9 9.316 -26.349 -9.443 1.00 32.24 H new ATOM 0 HG11 VAL A 9 8.245 -27.086 -11.556 1.00 13.12 H new ATOM 0 HG12 VAL A 9 8.497 -28.441 -10.430 1.00 13.12 H new ATOM 0 HG13 VAL A 9 6.875 -27.734 -10.624 1.00 13.12 H new ATOM 0 HG21 VAL A 9 7.831 -24.813 -10.720 1.00 33.54 H new ATOM 0 HG22 VAL A 9 6.447 -25.357 -9.743 1.00 33.54 H new ATOM 0 HG23 VAL A 9 7.788 -24.476 -8.973 1.00 33.54 H new ATOM 182 N TYR A 10 7.812 -29.337 -7.184 1.00 12.24 N ATOM 183 CA TYR A 10 8.394 -30.526 -6.570 1.00 60.31 C ATOM 184 C TYR A 10 7.937 -31.826 -7.231 1.00 60.42 C ATOM 185 O TYR A 10 6.886 -31.875 -7.872 1.00 4.23 O ATOM 186 CB TYR A 10 8.118 -30.525 -5.057 1.00 64.21 C ATOM 187 CG TYR A 10 6.684 -30.764 -4.612 1.00 60.12 C ATOM 188 CD1 TYR A 10 5.877 -29.682 -4.210 1.00 64.43 C ATOM 189 CD2 TYR A 10 6.236 -32.080 -4.387 1.00 44.03 C ATOM 190 CE1 TYR A 10 4.637 -29.914 -3.589 1.00 42.14 C ATOM 191 CE2 TYR A 10 4.985 -32.314 -3.791 1.00 21.44 C ATOM 192 CZ TYR A 10 4.188 -31.231 -3.383 1.00 24.32 C ATOM 193 OH TYR A 10 2.982 -31.463 -2.786 1.00 74.12 O ATOM 0 H TYR A 10 6.798 -29.282 -7.093 1.00 12.24 H new ATOM 0 HA TYR A 10 9.471 -30.483 -6.730 1.00 60.31 H new ATOM 0 HB2 TYR A 10 8.746 -31.289 -4.599 1.00 64.21 H new ATOM 0 HB3 TYR A 10 8.441 -29.564 -4.655 1.00 64.21 H new ATOM 0 HD1 TYR A 10 6.212 -28.669 -4.380 1.00 64.43 H new ATOM 0 HD2 TYR A 10 6.858 -32.915 -4.674 1.00 44.03 H new ATOM 0 HE1 TYR A 10 4.029 -29.080 -3.270 1.00 42.14 H new ATOM 0 HE2 TYR A 10 4.636 -33.326 -3.647 1.00 21.44 H new ATOM 0 HH TYR A 10 2.327 -31.731 -3.464 1.00 74.12 H new ATOM 203 N SER A 11 8.738 -32.882 -7.035 1.00 72.34 N ATOM 204 CA SER A 11 8.443 -34.233 -7.490 1.00 23.42 C ATOM 205 C SER A 11 7.508 -34.906 -6.487 1.00 74.21 C ATOM 206 O SER A 11 7.939 -35.284 -5.398 1.00 60.41 O ATOM 207 CB SER A 11 9.740 -35.048 -7.625 1.00 71.25 C ATOM 208 OG SER A 11 10.750 -34.294 -8.253 1.00 40.01 O ATOM 0 H SER A 11 9.629 -32.811 -6.543 1.00 72.34 H new ATOM 0 HA SER A 11 7.962 -34.186 -8.467 1.00 23.42 H new ATOM 0 HB2 SER A 11 10.079 -35.364 -6.638 1.00 71.25 H new ATOM 0 HB3 SER A 11 9.546 -35.953 -8.201 1.00 71.25 H new ATOM 0 HG SER A 11 10.592 -34.277 -9.220 1.00 40.01 H new ATOM 214 N ARG A 12 6.228 -35.056 -6.844 1.00 42.04 N ATOM 215 CA ARG A 12 5.252 -35.723 -5.995 1.00 54.32 C ATOM 216 C ARG A 12 5.560 -37.220 -5.954 1.00 40.12 C ATOM 217 O ARG A 12 5.857 -37.764 -4.892 1.00 60.22 O ATOM 218 CB ARG A 12 3.845 -35.440 -6.531 1.00 53.33 C ATOM 219 CG ARG A 12 2.702 -36.024 -5.689 1.00 41.23 C ATOM 220 CD ARG A 12 2.611 -35.398 -4.298 1.00 0.41 C ATOM 221 NE ARG A 12 1.434 -35.895 -3.575 1.00 62.24 N ATOM 222 CZ ARG A 12 0.952 -35.359 -2.442 1.00 14.15 C ATOM 223 NH1 ARG A 12 1.522 -34.274 -1.896 1.00 44.43 N ATOM 224 NH2 ARG A 12 -0.112 -35.918 -1.849 1.00 3.41 N ATOM 0 H ARG A 12 5.847 -34.718 -7.727 1.00 42.04 H new ATOM 0 HA ARG A 12 5.304 -35.344 -4.974 1.00 54.32 H new ATOM 0 HB2 ARG A 12 3.710 -34.361 -6.602 1.00 53.33 H new ATOM 0 HB3 ARG A 12 3.771 -35.838 -7.543 1.00 53.33 H new ATOM 0 HG2 ARG A 12 1.758 -35.874 -6.212 1.00 41.23 H new ATOM 0 HG3 ARG A 12 2.843 -37.100 -5.589 1.00 41.23 H new ATOM 0 HD2 ARG A 12 3.514 -35.627 -3.732 1.00 0.41 H new ATOM 0 HD3 ARG A 12 2.557 -34.313 -4.386 1.00 0.41 H new ATOM 0 HE ARG A 12 0.948 -36.705 -3.960 1.00 62.24 H new ATOM 0 HH11 ARG A 12 2.333 -33.845 -2.342 1.00 44.43 H new ATOM 0 HH12 ARG A 12 1.144 -33.878 -1.035 1.00 44.43 H new ATOM 0 HH21 ARG A 12 -0.549 -36.744 -2.259 1.00 3.41 H new ATOM 0 HH22 ARG A 12 -0.485 -35.518 -0.988 1.00 3.41 H new ATOM 238 N HIS A 13 5.504 -37.867 -7.123 1.00 4.10 N ATOM 239 CA HIS A 13 5.860 -39.266 -7.313 1.00 74.14 C ATOM 240 C HIS A 13 7.365 -39.362 -7.599 1.00 25.22 C ATOM 241 O HIS A 13 7.951 -38.398 -8.095 1.00 73.34 O ATOM 242 CB HIS A 13 5.056 -39.828 -8.493 1.00 44.24 C ATOM 243 CG HIS A 13 3.594 -40.080 -8.221 1.00 22.32 C ATOM 244 ND1 HIS A 13 2.854 -39.331 -7.321 1.00 5.32 N ATOM 245 CD2 HIS A 13 2.705 -40.990 -8.745 1.00 11.31 C ATOM 246 CE1 HIS A 13 1.601 -39.814 -7.325 1.00 2.05 C ATOM 247 NE2 HIS A 13 1.444 -40.829 -8.178 1.00 51.31 N ATOM 0 H HIS A 13 5.200 -37.413 -7.984 1.00 4.10 H new ATOM 0 HA HIS A 13 5.630 -39.844 -6.418 1.00 74.14 H new ATOM 0 HB2 HIS A 13 5.138 -39.134 -9.329 1.00 44.24 H new ATOM 0 HB3 HIS A 13 5.515 -40.764 -8.810 1.00 44.24 H new ATOM 0 HD2 HIS A 13 2.952 -41.728 -9.494 1.00 11.31 H new ATOM 0 HE1 HIS A 13 0.807 -39.424 -6.706 1.00 2.05 H new ATOM 0 HE2 HIS A 13 0.596 -41.363 -8.370 1.00 51.31 H new ATOM 255 N PRO A 14 8.002 -40.508 -7.306 1.00 61.25 N ATOM 256 CA PRO A 14 9.422 -40.713 -7.547 1.00 60.34 C ATOM 257 C PRO A 14 9.711 -40.767 -9.050 1.00 54.44 C ATOM 258 O PRO A 14 8.928 -41.336 -9.810 1.00 74.41 O ATOM 259 CB PRO A 14 9.773 -42.029 -6.848 1.00 11.44 C ATOM 260 CG PRO A 14 8.452 -42.797 -6.861 1.00 21.42 C ATOM 261 CD PRO A 14 7.411 -41.689 -6.697 1.00 64.54 C ATOM 0 HA PRO A 14 10.028 -39.895 -7.157 1.00 60.34 H new ATOM 0 HB2 PRO A 14 10.558 -42.569 -7.378 1.00 11.44 H new ATOM 0 HB3 PRO A 14 10.131 -41.862 -5.832 1.00 11.44 H new ATOM 0 HG2 PRO A 14 8.314 -43.347 -7.792 1.00 21.42 H new ATOM 0 HG3 PRO A 14 8.399 -43.524 -6.051 1.00 21.42 H new ATOM 0 HD2 PRO A 14 6.474 -41.955 -7.186 1.00 64.54 H new ATOM 0 HD3 PRO A 14 7.184 -41.516 -5.645 1.00 64.54 H new ATOM 269 N ALA A 15 10.830 -40.156 -9.464 1.00 73.41 N ATOM 270 CA ALA A 15 11.243 -39.976 -10.851 1.00 12.14 C ATOM 271 C ALA A 15 11.877 -41.251 -11.414 1.00 71.12 C ATOM 272 O ALA A 15 13.032 -41.254 -11.838 1.00 44.23 O ATOM 273 CB ALA A 15 12.179 -38.764 -10.933 1.00 54.55 C ATOM 0 H ALA A 15 11.499 -39.757 -8.805 1.00 73.41 H new ATOM 0 HA ALA A 15 10.371 -39.781 -11.475 1.00 12.14 H new ATOM 0 HB1 ALA A 15 12.496 -38.618 -11.966 1.00 54.55 H new ATOM 0 HB2 ALA A 15 11.654 -37.874 -10.585 1.00 54.55 H new ATOM 0 HB3 ALA A 15 13.054 -38.937 -10.306 1.00 54.55 H new ATOM 279 N GLU A 16 11.086 -42.330 -11.437 1.00 32.45 N ATOM 280 CA GLU A 16 11.434 -43.620 -12.007 1.00 13.41 C ATOM 281 C GLU A 16 11.114 -43.576 -13.504 1.00 44.34 C ATOM 282 O GLU A 16 10.050 -43.097 -13.897 1.00 44.42 O ATOM 283 CB GLU A 16 10.653 -44.696 -11.241 1.00 12.22 C ATOM 284 CG GLU A 16 10.989 -46.138 -11.640 1.00 75.42 C ATOM 285 CD GLU A 16 10.299 -46.570 -12.929 1.00 62.34 C ATOM 286 OE1 GLU A 16 9.051 -46.503 -12.951 1.00 62.32 O ATOM 287 OE2 GLU A 16 11.028 -46.979 -13.857 1.00 11.11 O ATOM 0 H GLU A 16 10.147 -42.319 -11.039 1.00 32.45 H new ATOM 0 HA GLU A 16 12.493 -43.858 -11.912 1.00 13.41 H new ATOM 0 HB2 GLU A 16 10.844 -44.575 -10.175 1.00 12.22 H new ATOM 0 HB3 GLU A 16 9.587 -44.530 -11.394 1.00 12.22 H new ATOM 0 HG2 GLU A 16 12.068 -46.235 -11.761 1.00 75.42 H new ATOM 0 HG3 GLU A 16 10.697 -46.811 -10.834 1.00 75.42 H new ATOM 294 N ASN A 17 12.069 -44.024 -14.329 1.00 54.05 N ATOM 295 CA ASN A 17 12.075 -43.845 -15.776 1.00 31.40 C ATOM 296 C ASN A 17 10.820 -44.418 -16.442 1.00 1.12 C ATOM 297 O ASN A 17 10.578 -45.621 -16.380 1.00 62.33 O ATOM 298 CB ASN A 17 13.342 -44.494 -16.349 1.00 52.21 C ATOM 299 CG ASN A 17 13.460 -44.282 -17.856 1.00 3.00 C ATOM 300 OD1 ASN A 17 13.293 -45.217 -18.636 1.00 52.34 O ATOM 301 ND2 ASN A 17 13.752 -43.046 -18.268 1.00 1.44 N ATOM 0 H ASN A 17 12.883 -44.537 -13.991 1.00 54.05 H new ATOM 0 HA ASN A 17 12.072 -42.776 -15.990 1.00 31.40 H new ATOM 0 HB2 ASN A 17 14.219 -44.077 -15.854 1.00 52.21 H new ATOM 0 HB3 ASN A 17 13.332 -45.562 -16.133 1.00 52.21 H new ATOM 0 HD21 ASN A 17 13.844 -42.849 -19.265 1.00 1.44 H new ATOM 0 HD22 ASN A 17 13.883 -42.299 -17.586 1.00 1.44 H new ATOM 308 N GLY A 18 10.044 -43.552 -17.107 1.00 12.54 N ATOM 309 CA GLY A 18 8.872 -43.945 -17.874 1.00 54.45 C ATOM 310 C GLY A 18 7.757 -44.473 -16.973 1.00 24.14 C ATOM 311 O GLY A 18 7.323 -45.613 -17.132 1.00 55.32 O ATOM 0 H GLY A 18 10.221 -42.548 -17.123 1.00 12.54 H new ATOM 0 HA2 GLY A 18 8.506 -43.090 -18.443 1.00 54.45 H new ATOM 0 HA3 GLY A 18 9.150 -44.713 -18.596 1.00 54.45 H new ATOM 315 N LYS A 19 7.288 -43.634 -16.042 1.00 2.23 N ATOM 316 CA LYS A 19 6.182 -43.935 -15.143 1.00 32.50 C ATOM 317 C LYS A 19 5.560 -42.610 -14.715 1.00 54.33 C ATOM 318 O LYS A 19 6.273 -41.691 -14.318 1.00 12.35 O ATOM 319 CB LYS A 19 6.693 -44.765 -13.961 1.00 33.13 C ATOM 320 CG LYS A 19 5.626 -45.165 -12.930 1.00 72.22 C ATOM 321 CD LYS A 19 5.346 -44.136 -11.818 1.00 0.45 C ATOM 322 CE LYS A 19 6.556 -43.782 -10.941 1.00 64.13 C ATOM 323 NZ LYS A 19 7.115 -44.961 -10.258 1.00 15.55 N ATOM 0 H LYS A 19 7.681 -42.705 -15.894 1.00 2.23 H new ATOM 0 HA LYS A 19 5.413 -44.534 -15.631 1.00 32.50 H new ATOM 0 HB2 LYS A 19 7.158 -45.671 -14.349 1.00 33.13 H new ATOM 0 HB3 LYS A 19 7.473 -44.200 -13.451 1.00 33.13 H new ATOM 0 HG2 LYS A 19 4.694 -45.363 -13.459 1.00 72.22 H new ATOM 0 HG3 LYS A 19 5.932 -46.101 -12.463 1.00 72.22 H new ATOM 0 HD2 LYS A 19 4.969 -43.222 -12.276 1.00 0.45 H new ATOM 0 HD3 LYS A 19 4.553 -44.522 -11.178 1.00 0.45 H new ATOM 0 HE2 LYS A 19 7.328 -43.323 -11.559 1.00 64.13 H new ATOM 0 HE3 LYS A 19 6.259 -43.041 -10.198 1.00 64.13 H new ATOM 0 HZ1 LYS A 19 7.929 -44.673 -9.678 1.00 15.55 H new ATOM 0 HZ2 LYS A 19 6.388 -45.386 -9.647 1.00 15.55 H new ATOM 0 HZ3 LYS A 19 7.423 -45.658 -10.965 1.00 15.55 H new ATOM 337 N SER A 20 4.233 -42.514 -14.836 1.00 33.14 N ATOM 338 CA SER A 20 3.496 -41.259 -14.762 1.00 54.12 C ATOM 339 C SER A 20 3.522 -40.645 -13.360 1.00 51.43 C ATOM 340 O SER A 20 3.220 -41.320 -12.377 1.00 32.32 O ATOM 341 CB SER A 20 2.064 -41.475 -15.253 1.00 51.41 C ATOM 342 OG SER A 20 1.396 -40.236 -15.273 1.00 51.13 O ATOM 0 H SER A 20 3.634 -43.325 -14.991 1.00 33.14 H new ATOM 0 HA SER A 20 3.991 -40.539 -15.413 1.00 54.12 H new ATOM 0 HB2 SER A 20 2.070 -41.916 -16.250 1.00 51.41 H new ATOM 0 HB3 SER A 20 1.543 -42.174 -14.599 1.00 51.41 H new ATOM 0 HG SER A 20 0.445 -40.380 -15.462 1.00 51.13 H new ATOM 348 N ASN A 21 3.889 -39.358 -13.289 1.00 24.44 N ATOM 349 CA ASN A 21 4.090 -38.594 -12.063 1.00 61.14 C ATOM 350 C ASN A 21 3.294 -37.286 -12.108 1.00 53.43 C ATOM 351 O ASN A 21 2.805 -36.895 -13.163 1.00 20.33 O ATOM 352 CB ASN A 21 5.584 -38.270 -11.925 1.00 74.11 C ATOM 353 CG ASN A 21 6.465 -39.474 -11.604 1.00 1.34 C ATOM 354 OD1 ASN A 21 6.009 -40.613 -11.540 1.00 52.33 O ATOM 355 ND2 ASN A 21 7.747 -39.207 -11.364 1.00 73.14 N ATOM 0 H ASN A 21 4.060 -38.801 -14.126 1.00 24.44 H new ATOM 0 HA ASN A 21 3.746 -39.184 -11.213 1.00 61.14 H new ATOM 0 HB2 ASN A 21 5.932 -37.818 -12.854 1.00 74.11 H new ATOM 0 HB3 ASN A 21 5.710 -37.524 -11.141 1.00 74.11 H new ATOM 0 HD21 ASN A 21 8.388 -39.961 -11.117 1.00 73.14 H new ATOM 0 HD22 ASN A 21 8.089 -38.248 -11.427 1.00 73.14 H new ATOM 362 N PHE A 22 3.167 -36.610 -10.957 1.00 63.53 N ATOM 363 CA PHE A 22 2.424 -35.359 -10.822 1.00 11.43 C ATOM 364 C PHE A 22 3.372 -34.194 -10.504 1.00 12.34 C ATOM 365 O PHE A 22 4.070 -34.221 -9.492 1.00 33.21 O ATOM 366 CB PHE A 22 1.336 -35.533 -9.755 1.00 11.05 C ATOM 367 CG PHE A 22 0.248 -36.509 -10.172 1.00 61.41 C ATOM 368 CD1 PHE A 22 -0.935 -36.032 -10.769 1.00 55.21 C ATOM 369 CD2 PHE A 22 0.477 -37.896 -10.095 1.00 72.12 C ATOM 370 CE1 PHE A 22 -1.876 -36.937 -11.292 1.00 44.42 C ATOM 371 CE2 PHE A 22 -0.458 -38.800 -10.628 1.00 1.14 C ATOM 372 CZ PHE A 22 -1.635 -38.320 -11.227 1.00 4.43 C ATOM 0 H PHE A 22 3.586 -36.926 -10.083 1.00 63.53 H new ATOM 0 HA PHE A 22 1.938 -35.113 -11.766 1.00 11.43 H new ATOM 0 HB2 PHE A 22 1.794 -35.882 -8.830 1.00 11.05 H new ATOM 0 HB3 PHE A 22 0.885 -34.564 -9.542 1.00 11.05 H new ATOM 0 HD1 PHE A 22 -1.120 -34.969 -10.825 1.00 55.21 H new ATOM 0 HD2 PHE A 22 1.375 -38.267 -9.624 1.00 72.12 H new ATOM 0 HE1 PHE A 22 -2.785 -36.569 -11.744 1.00 44.42 H new ATOM 0 HE2 PHE A 22 -0.272 -39.863 -10.577 1.00 1.14 H new ATOM 0 HZ PHE A 22 -2.354 -39.014 -11.637 1.00 4.43 H new ATOM 382 N LEU A 23 3.408 -33.182 -11.383 1.00 20.20 N ATOM 383 CA LEU A 23 4.302 -32.032 -11.305 1.00 41.41 C ATOM 384 C LEU A 23 3.667 -31.011 -10.365 1.00 43.01 C ATOM 385 O LEU A 23 2.783 -30.265 -10.781 1.00 12.43 O ATOM 386 CB LEU A 23 4.492 -31.457 -12.721 1.00 55.22 C ATOM 387 CG LEU A 23 5.324 -30.169 -12.806 1.00 20.52 C ATOM 388 CD1 LEU A 23 6.792 -30.414 -12.448 1.00 3.04 C ATOM 389 CD2 LEU A 23 5.243 -29.621 -14.236 1.00 44.24 C ATOM 0 H LEU A 23 2.791 -33.147 -12.194 1.00 20.20 H new ATOM 0 HA LEU A 23 5.283 -32.307 -10.918 1.00 41.41 H new ATOM 0 HB2 LEU A 23 4.966 -32.217 -13.342 1.00 55.22 H new ATOM 0 HB3 LEU A 23 3.509 -31.263 -13.150 1.00 55.22 H new ATOM 0 HG LEU A 23 4.918 -29.455 -12.090 1.00 20.52 H new ATOM 0 HD11 LEU A 23 7.345 -29.478 -12.521 1.00 3.04 H new ATOM 0 HD12 LEU A 23 6.859 -30.797 -11.430 1.00 3.04 H new ATOM 0 HD13 LEU A 23 7.218 -31.142 -13.138 1.00 3.04 H new ATOM 0 HD21 LEU A 23 5.830 -28.706 -14.309 1.00 44.24 H new ATOM 0 HD22 LEU A 23 5.637 -30.361 -14.932 1.00 44.24 H new ATOM 0 HD23 LEU A 23 4.204 -29.406 -14.485 1.00 44.24 H new ATOM 401 N ASN A 24 4.089 -30.995 -9.095 1.00 60.22 N ATOM 402 CA ASN A 24 3.386 -30.258 -8.058 1.00 4.43 C ATOM 403 C ASN A 24 3.960 -28.849 -7.957 1.00 3.43 C ATOM 404 O ASN A 24 4.793 -28.568 -7.096 1.00 44.01 O ATOM 405 CB ASN A 24 3.453 -31.037 -6.737 1.00 42.25 C ATOM 406 CG ASN A 24 2.320 -32.055 -6.591 1.00 33.53 C ATOM 407 OD1 ASN A 24 1.743 -32.178 -5.514 1.00 74.22 O ATOM 408 ND2 ASN A 24 1.985 -32.786 -7.658 1.00 44.14 N ATOM 0 H ASN A 24 4.919 -31.489 -8.768 1.00 60.22 H new ATOM 0 HA ASN A 24 2.330 -30.152 -8.307 1.00 4.43 H new ATOM 0 HB2 ASN A 24 4.410 -31.554 -6.674 1.00 42.25 H new ATOM 0 HB3 ASN A 24 3.414 -30.335 -5.904 1.00 42.25 H new ATOM 0 HD21 ASN A 24 1.231 -33.470 -7.592 1.00 44.14 H new ATOM 0 HD22 ASN A 24 2.483 -32.661 -8.539 1.00 44.14 H new ATOM 415 N CYS A 25 3.475 -27.964 -8.839 1.00 53.01 N ATOM 416 CA CYS A 25 3.775 -26.541 -8.822 1.00 1.01 C ATOM 417 C CYS A 25 2.882 -25.865 -7.785 1.00 31.43 C ATOM 418 O CYS A 25 1.767 -25.452 -8.095 1.00 74.44 O ATOM 419 CB CYS A 25 3.599 -25.944 -10.226 1.00 51.11 C ATOM 420 SG CYS A 25 4.721 -26.623 -11.475 1.00 4.31 S ATOM 0 H CYS A 25 2.849 -28.232 -9.599 1.00 53.01 H new ATOM 0 HA CYS A 25 4.814 -26.373 -8.539 1.00 1.01 H new ATOM 0 HB2 CYS A 25 2.572 -26.108 -10.551 1.00 51.11 H new ATOM 0 HB3 CYS A 25 3.747 -24.866 -10.170 1.00 51.11 H new ATOM 425 N TYR A 26 3.384 -25.765 -6.548 1.00 61.11 N ATOM 426 CA TYR A 26 2.697 -25.129 -5.435 1.00 54.33 C ATOM 427 C TYR A 26 3.039 -23.638 -5.435 1.00 41.32 C ATOM 428 O TYR A 26 4.068 -23.237 -4.893 1.00 0.04 O ATOM 429 CB TYR A 26 3.099 -25.831 -4.133 1.00 4.33 C ATOM 430 CG TYR A 26 2.415 -25.293 -2.892 1.00 20.21 C ATOM 431 CD1 TYR A 26 3.086 -24.391 -2.046 1.00 53.11 C ATOM 432 CD2 TYR A 26 1.119 -25.730 -2.559 1.00 40.34 C ATOM 433 CE1 TYR A 26 2.482 -23.961 -0.853 1.00 5.22 C ATOM 434 CE2 TYR A 26 0.523 -25.315 -1.357 1.00 52.42 C ATOM 435 CZ TYR A 26 1.204 -24.430 -0.503 1.00 12.33 C ATOM 436 OH TYR A 26 0.629 -24.024 0.666 1.00 55.02 O ATOM 0 H TYR A 26 4.300 -26.135 -6.295 1.00 61.11 H new ATOM 0 HA TYR A 26 1.615 -25.219 -5.530 1.00 54.33 H new ATOM 0 HB2 TYR A 26 2.875 -26.894 -4.224 1.00 4.33 H new ATOM 0 HB3 TYR A 26 4.178 -25.742 -4.005 1.00 4.33 H new ATOM 0 HD1 TYR A 26 4.067 -24.029 -2.314 1.00 53.11 H new ATOM 0 HD2 TYR A 26 0.582 -26.385 -3.229 1.00 40.34 H new ATOM 0 HE1 TYR A 26 3.000 -23.270 -0.204 1.00 5.22 H new ATOM 0 HE2 TYR A 26 -0.459 -25.676 -1.089 1.00 52.42 H new ATOM 0 HH TYR A 26 -0.318 -23.824 0.513 1.00 55.02 H new ATOM 446 N VAL A 27 2.191 -22.825 -6.081 1.00 24.24 N ATOM 447 CA VAL A 27 2.483 -21.427 -6.363 1.00 5.43 C ATOM 448 C VAL A 27 1.732 -20.568 -5.349 1.00 2.22 C ATOM 449 O VAL A 27 0.565 -20.249 -5.562 1.00 2.33 O ATOM 450 CB VAL A 27 2.093 -21.101 -7.818 1.00 71.33 C ATOM 451 CG1 VAL A 27 2.452 -19.653 -8.165 1.00 32.41 C ATOM 452 CG2 VAL A 27 2.833 -22.010 -8.809 1.00 60.42 C ATOM 0 H VAL A 27 1.279 -23.129 -6.422 1.00 24.24 H new ATOM 0 HA VAL A 27 3.548 -21.217 -6.266 1.00 5.43 H new ATOM 0 HB VAL A 27 1.017 -21.258 -7.898 1.00 71.33 H new ATOM 0 HG11 VAL A 27 2.168 -19.445 -9.197 1.00 32.41 H new ATOM 0 HG12 VAL A 27 1.918 -18.976 -7.498 1.00 32.41 H new ATOM 0 HG13 VAL A 27 3.526 -19.506 -8.048 1.00 32.41 H new ATOM 0 HG21 VAL A 27 2.537 -21.756 -9.827 1.00 60.42 H new ATOM 0 HG22 VAL A 27 3.908 -21.870 -8.698 1.00 60.42 H new ATOM 0 HG23 VAL A 27 2.580 -23.051 -8.607 1.00 60.42 H new ATOM 462 N SER A 28 2.387 -20.238 -4.229 1.00 25.30 N ATOM 463 CA SER A 28 1.736 -19.616 -3.084 1.00 52.33 C ATOM 464 C SER A 28 2.182 -18.172 -2.850 1.00 2.20 C ATOM 465 O SER A 28 3.353 -17.840 -3.012 1.00 62.24 O ATOM 466 CB SER A 28 1.983 -20.480 -1.843 1.00 75.22 C ATOM 467 OG SER A 28 3.352 -20.784 -1.712 1.00 33.23 O ATOM 0 H SER A 28 3.386 -20.398 -4.097 1.00 25.30 H new ATOM 0 HA SER A 28 0.668 -19.561 -3.294 1.00 52.33 H new ATOM 0 HB2 SER A 28 1.635 -19.955 -0.953 1.00 75.22 H new ATOM 0 HB3 SER A 28 1.406 -21.402 -1.915 1.00 75.22 H new ATOM 0 HG SER A 28 3.455 -21.721 -1.445 1.00 33.23 H new ATOM 473 N GLY A 29 1.234 -17.335 -2.410 1.00 54.04 N ATOM 474 CA GLY A 29 1.492 -16.001 -1.888 1.00 55.34 C ATOM 475 C GLY A 29 1.709 -14.945 -2.971 1.00 55.03 C ATOM 476 O GLY A 29 2.427 -13.976 -2.731 1.00 34.33 O ATOM 0 H GLY A 29 0.244 -17.580 -2.410 1.00 54.04 H new ATOM 0 HA2 GLY A 29 0.653 -15.698 -1.261 1.00 55.34 H new ATOM 0 HA3 GLY A 29 2.373 -16.036 -1.247 1.00 55.34 H new ATOM 480 N PHE A 30 1.082 -15.107 -4.143 1.00 42.13 N ATOM 481 CA PHE A 30 1.144 -14.132 -5.225 1.00 74.14 C ATOM 482 C PHE A 30 -0.024 -13.159 -5.104 1.00 62.34 C ATOM 483 O PHE A 30 -1.176 -13.561 -5.226 1.00 74.12 O ATOM 484 CB PHE A 30 1.151 -14.838 -6.583 1.00 32.35 C ATOM 485 CG PHE A 30 -0.059 -15.703 -6.885 1.00 4.01 C ATOM 486 CD1 PHE A 30 -0.111 -17.037 -6.439 1.00 5.22 C ATOM 487 CD2 PHE A 30 -1.136 -15.170 -7.618 1.00 14.32 C ATOM 488 CE1 PHE A 30 -1.252 -17.816 -6.696 1.00 31.21 C ATOM 489 CE2 PHE A 30 -2.294 -15.934 -7.822 1.00 40.42 C ATOM 490 CZ PHE A 30 -2.362 -17.246 -7.339 1.00 32.30 C ATOM 0 H PHE A 30 0.515 -15.926 -4.363 1.00 42.13 H new ATOM 0 HA PHE A 30 2.071 -13.564 -5.149 1.00 74.14 H new ATOM 0 HB2 PHE A 30 1.237 -14.082 -7.364 1.00 32.35 H new ATOM 0 HB3 PHE A 30 2.043 -15.461 -6.643 1.00 32.35 H new ATOM 0 HD1 PHE A 30 0.724 -17.461 -5.901 1.00 5.22 H new ATOM 0 HD2 PHE A 30 -1.070 -14.171 -8.024 1.00 14.32 H new ATOM 0 HE1 PHE A 30 -1.275 -18.854 -6.399 1.00 31.21 H new ATOM 0 HE2 PHE A 30 -3.134 -15.510 -8.352 1.00 40.42 H new ATOM 0 HZ PHE A 30 -3.269 -17.820 -7.461 1.00 32.30 H new ATOM 500 N HIS A 31 0.279 -11.891 -4.819 1.00 61.31 N ATOM 501 CA HIS A 31 -0.735 -10.868 -4.592 1.00 54.35 C ATOM 502 C HIS A 31 -0.549 -9.725 -5.594 1.00 12.31 C ATOM 503 O HIS A 31 0.547 -9.167 -5.640 1.00 63.11 O ATOM 504 CB HIS A 31 -0.623 -10.362 -3.150 1.00 62.51 C ATOM 505 CG HIS A 31 -1.958 -9.889 -2.645 1.00 20.24 C ATOM 506 ND1 HIS A 31 -2.519 -8.674 -3.006 1.00 35.32 N ATOM 507 CD2 HIS A 31 -2.942 -10.555 -1.959 1.00 12.25 C ATOM 508 CE1 HIS A 31 -3.781 -8.674 -2.543 1.00 53.43 C ATOM 509 NE2 HIS A 31 -4.096 -9.787 -1.879 1.00 33.40 N ATOM 0 H HIS A 31 1.236 -11.548 -4.740 1.00 61.31 H new ATOM 0 HA HIS A 31 -1.730 -11.287 -4.739 1.00 54.35 H new ATOM 0 HB2 HIS A 31 -0.248 -11.159 -2.508 1.00 62.51 H new ATOM 0 HB3 HIS A 31 0.099 -9.547 -3.101 1.00 62.51 H new ATOM 0 HD2 HIS A 31 -2.834 -11.544 -1.538 1.00 12.25 H new ATOM 0 HE1 HIS A 31 -4.470 -7.856 -2.693 1.00 53.43 H new ATOM 0 HE2 HIS A 31 -4.977 -10.019 -1.420 1.00 33.40 H new ATOM 517 N PRO A 32 -1.560 -9.343 -6.396 1.00 41.11 N ATOM 518 CA PRO A 32 -2.941 -9.825 -6.416 1.00 45.05 C ATOM 519 C PRO A 32 -3.070 -11.193 -7.102 1.00 23.21 C ATOM 520 O PRO A 32 -2.070 -11.854 -7.364 1.00 2.41 O ATOM 521 CB PRO A 32 -3.714 -8.732 -7.166 1.00 15.25 C ATOM 522 CG PRO A 32 -2.681 -8.202 -8.158 1.00 12.32 C ATOM 523 CD PRO A 32 -1.393 -8.252 -7.342 1.00 32.34 C ATOM 0 HA PRO A 32 -3.329 -9.990 -5.411 1.00 45.05 H new ATOM 0 HB2 PRO A 32 -4.592 -9.133 -7.673 1.00 15.25 H new ATOM 0 HB3 PRO A 32 -4.065 -7.950 -6.492 1.00 15.25 H new ATOM 0 HG2 PRO A 32 -2.620 -8.822 -9.052 1.00 12.32 H new ATOM 0 HG3 PRO A 32 -2.915 -7.190 -8.487 1.00 12.32 H new ATOM 0 HD2 PRO A 32 -0.530 -8.422 -7.985 1.00 32.34 H new ATOM 0 HD3 PRO A 32 -1.223 -7.309 -6.823 1.00 32.34 H new ATOM 531 N SER A 33 -4.309 -11.625 -7.375 1.00 15.20 N ATOM 532 CA SER A 33 -4.622 -12.956 -7.889 1.00 1.42 C ATOM 533 C SER A 33 -4.460 -13.078 -9.415 1.00 0.25 C ATOM 534 O SER A 33 -4.860 -14.092 -9.986 1.00 35.40 O ATOM 535 CB SER A 33 -6.053 -13.320 -7.460 1.00 15.04 C ATOM 536 OG SER A 33 -6.312 -14.693 -7.659 1.00 32.24 O ATOM 0 H SER A 33 -5.136 -11.043 -7.240 1.00 15.20 H new ATOM 0 HA SER A 33 -3.903 -13.657 -7.465 1.00 1.42 H new ATOM 0 HB2 SER A 33 -6.195 -13.069 -6.409 1.00 15.04 H new ATOM 0 HB3 SER A 33 -6.768 -12.726 -8.029 1.00 15.04 H new ATOM 0 HG SER A 33 -5.919 -14.980 -8.510 1.00 32.24 H new ATOM 542 N ASP A 34 -3.895 -12.066 -10.087 1.00 2.23 N ATOM 543 CA ASP A 34 -3.892 -11.963 -11.544 1.00 12.24 C ATOM 544 C ASP A 34 -2.708 -12.722 -12.159 1.00 33.45 C ATOM 545 O ASP A 34 -1.882 -12.131 -12.854 1.00 22.25 O ATOM 546 CB ASP A 34 -3.896 -10.478 -11.936 1.00 3.41 C ATOM 547 CG ASP A 34 -5.103 -9.742 -11.356 1.00 74.33 C ATOM 548 OD1 ASP A 34 -6.183 -9.838 -11.976 1.00 5.00 O ATOM 549 OD2 ASP A 34 -4.927 -9.103 -10.296 1.00 55.44 O ATOM 0 H ASP A 34 -3.423 -11.289 -9.624 1.00 2.23 H new ATOM 0 HA ASP A 34 -4.790 -12.434 -11.944 1.00 12.24 H new ATOM 0 HB2 ASP A 34 -2.979 -10.006 -11.583 1.00 3.41 H new ATOM 0 HB3 ASP A 34 -3.903 -10.389 -13.022 1.00 3.41 H new ATOM 554 N ILE A 35 -2.638 -14.035 -11.897 1.00 65.33 N ATOM 555 CA ILE A 35 -1.557 -14.916 -12.333 1.00 42.51 C ATOM 556 C ILE A 35 -1.966 -15.705 -13.578 1.00 2.03 C ATOM 557 O ILE A 35 -3.154 -15.909 -13.826 1.00 53.32 O ATOM 558 CB ILE A 35 -1.135 -15.844 -11.176 1.00 34.30 C ATOM 559 CG1 ILE A 35 0.280 -16.408 -11.393 1.00 13.15 C ATOM 560 CG2 ILE A 35 -2.158 -16.970 -10.950 1.00 60.21 C ATOM 561 CD1 ILE A 35 0.852 -17.059 -10.133 1.00 60.11 C ATOM 0 H ILE A 35 -3.355 -14.523 -11.360 1.00 65.33 H new ATOM 0 HA ILE A 35 -0.694 -14.310 -12.609 1.00 42.51 H new ATOM 0 HB ILE A 35 -1.112 -15.239 -10.270 1.00 34.30 H new ATOM 0 HG12 ILE A 35 0.255 -17.143 -12.198 1.00 13.15 H new ATOM 0 HG13 ILE A 35 0.942 -15.604 -11.715 1.00 13.15 H new ATOM 0 HG21 ILE A 35 -1.826 -17.603 -10.127 1.00 60.21 H new ATOM 0 HG22 ILE A 35 -3.128 -16.537 -10.706 1.00 60.21 H new ATOM 0 HG23 ILE A 35 -2.246 -17.569 -11.856 1.00 60.21 H new ATOM 0 HD11 ILE A 35 1.852 -17.440 -10.342 1.00 60.11 H new ATOM 0 HD12 ILE A 35 0.905 -16.320 -9.334 1.00 60.11 H new ATOM 0 HD13 ILE A 35 0.207 -17.882 -9.824 1.00 60.11 H new ATOM 573 N GLU A 36 -0.967 -16.168 -14.337 1.00 2.00 N ATOM 574 CA GLU A 36 -1.126 -17.033 -15.490 1.00 21.31 C ATOM 575 C GLU A 36 0.004 -18.065 -15.460 1.00 55.24 C ATOM 576 O GLU A 36 1.053 -17.879 -16.078 1.00 14.32 O ATOM 577 CB GLU A 36 -1.076 -16.203 -16.773 1.00 12.02 C ATOM 578 CG GLU A 36 -2.170 -15.134 -16.860 1.00 23.10 C ATOM 579 CD GLU A 36 -2.064 -14.364 -18.173 1.00 13.42 C ATOM 580 OE1 GLU A 36 -1.247 -13.418 -18.213 1.00 5.23 O ATOM 581 OE2 GLU A 36 -2.790 -14.742 -19.118 1.00 13.12 O ATOM 0 H GLU A 36 0.009 -15.936 -14.150 1.00 2.00 H new ATOM 0 HA GLU A 36 -2.090 -17.542 -15.463 1.00 21.31 H new ATOM 0 HB2 GLU A 36 -0.102 -15.719 -16.844 1.00 12.02 H new ATOM 0 HB3 GLU A 36 -1.164 -16.870 -17.630 1.00 12.02 H new ATOM 0 HG2 GLU A 36 -3.151 -15.603 -16.785 1.00 23.10 H new ATOM 0 HG3 GLU A 36 -2.081 -14.445 -16.020 1.00 23.10 H new ATOM 588 N VAL A 37 -0.229 -19.160 -14.731 1.00 72.22 N ATOM 589 CA VAL A 37 0.662 -20.313 -14.683 1.00 65.35 C ATOM 590 C VAL A 37 0.366 -21.177 -15.910 1.00 20.45 C ATOM 591 O VAL A 37 -0.350 -22.175 -15.834 1.00 44.34 O ATOM 592 CB VAL A 37 0.490 -21.090 -13.368 1.00 15.54 C ATOM 593 CG1 VAL A 37 1.544 -22.202 -13.263 1.00 44.52 C ATOM 594 CG2 VAL A 37 0.616 -20.174 -12.144 1.00 22.31 C ATOM 0 H VAL A 37 -1.059 -19.268 -14.148 1.00 72.22 H new ATOM 0 HA VAL A 37 1.704 -19.995 -14.706 1.00 65.35 H new ATOM 0 HB VAL A 37 -0.511 -21.521 -13.380 1.00 15.54 H new ATOM 0 HG11 VAL A 37 1.410 -22.743 -12.327 1.00 44.52 H new ATOM 0 HG12 VAL A 37 1.431 -22.891 -14.100 1.00 44.52 H new ATOM 0 HG13 VAL A 37 2.541 -21.762 -13.288 1.00 44.52 H new ATOM 0 HG21 VAL A 37 0.488 -20.762 -11.235 1.00 22.31 H new ATOM 0 HG22 VAL A 37 1.601 -19.707 -12.139 1.00 22.31 H new ATOM 0 HG23 VAL A 37 -0.152 -19.401 -12.187 1.00 22.31 H new ATOM 604 N ASP A 38 0.920 -20.757 -17.048 1.00 43.04 N ATOM 605 CA ASP A 38 0.700 -21.350 -18.360 1.00 64.52 C ATOM 606 C ASP A 38 1.741 -22.450 -18.588 1.00 4.00 C ATOM 607 O ASP A 38 2.515 -22.410 -19.543 1.00 2.32 O ATOM 608 CB ASP A 38 0.754 -20.215 -19.394 1.00 64.41 C ATOM 609 CG ASP A 38 0.660 -20.687 -20.842 1.00 32.30 C ATOM 610 OD1 ASP A 38 -0.319 -21.394 -21.163 1.00 11.10 O ATOM 611 OD2 ASP A 38 1.579 -20.321 -21.607 1.00 34.10 O ATOM 0 H ASP A 38 1.559 -19.963 -17.078 1.00 43.04 H new ATOM 0 HA ASP A 38 -0.274 -21.831 -18.449 1.00 64.52 H new ATOM 0 HB2 ASP A 38 -0.061 -19.519 -19.196 1.00 64.41 H new ATOM 0 HB3 ASP A 38 1.684 -19.662 -19.263 1.00 64.41 H new ATOM 616 N LEU A 39 1.771 -23.427 -17.676 1.00 11.30 N ATOM 617 CA LEU A 39 2.799 -24.451 -17.625 1.00 32.10 C ATOM 618 C LEU A 39 2.914 -25.265 -18.909 1.00 61.53 C ATOM 619 O LEU A 39 1.938 -25.452 -19.636 1.00 75.34 O ATOM 620 CB LEU A 39 2.624 -25.357 -16.405 1.00 61.24 C ATOM 621 CG LEU A 39 1.391 -26.269 -16.463 1.00 52.41 C ATOM 622 CD1 LEU A 39 1.568 -27.392 -15.436 1.00 71.34 C ATOM 623 CD2 LEU A 39 0.071 -25.549 -16.173 1.00 22.21 C ATOM 0 H LEU A 39 1.067 -23.523 -16.944 1.00 11.30 H new ATOM 0 HA LEU A 39 3.745 -23.918 -17.524 1.00 32.10 H new ATOM 0 HB2 LEU A 39 3.514 -25.977 -16.297 1.00 61.24 H new ATOM 0 HB3 LEU A 39 2.559 -24.735 -15.512 1.00 61.24 H new ATOM 0 HG LEU A 39 1.326 -26.646 -17.484 1.00 52.41 H new ATOM 0 HD11 LEU A 39 0.700 -28.050 -15.464 1.00 71.34 H new ATOM 0 HD12 LEU A 39 2.465 -27.964 -15.673 1.00 71.34 H new ATOM 0 HD13 LEU A 39 1.665 -26.962 -14.439 1.00 71.34 H new ATOM 0 HD21 LEU A 39 -0.752 -26.261 -16.233 1.00 22.21 H new ATOM 0 HD22 LEU A 39 0.105 -25.116 -15.173 1.00 22.21 H new ATOM 0 HD23 LEU A 39 -0.080 -24.757 -16.906 1.00 22.21 H new ATOM 635 N LEU A 40 4.143 -25.729 -19.161 1.00 11.43 N ATOM 636 CA LEU A 40 4.550 -26.394 -20.388 1.00 21.12 C ATOM 637 C LEU A 40 5.169 -27.757 -20.078 1.00 0.54 C ATOM 638 O LEU A 40 5.559 -28.033 -18.943 1.00 60.32 O ATOM 639 CB LEU A 40 5.587 -25.539 -21.135 1.00 75.33 C ATOM 640 CG LEU A 40 5.204 -24.067 -21.360 1.00 44.42 C ATOM 641 CD1 LEU A 40 6.326 -23.389 -22.156 1.00 3.42 C ATOM 642 CD2 LEU A 40 3.885 -23.933 -22.121 1.00 12.02 C ATOM 0 H LEU A 40 4.904 -25.645 -18.487 1.00 11.43 H new ATOM 0 HA LEU A 40 3.665 -26.529 -21.009 1.00 21.12 H new ATOM 0 HB2 LEU A 40 6.524 -25.570 -20.579 1.00 75.33 H new ATOM 0 HB3 LEU A 40 5.777 -25.998 -22.105 1.00 75.33 H new ATOM 0 HG LEU A 40 5.073 -23.590 -20.389 1.00 44.42 H new ATOM 0 HD11 LEU A 40 6.071 -22.343 -22.325 1.00 3.42 H new ATOM 0 HD12 LEU A 40 7.258 -23.449 -21.594 1.00 3.42 H new ATOM 0 HD13 LEU A 40 6.447 -23.893 -23.115 1.00 3.42 H new ATOM 0 HD21 LEU A 40 3.650 -22.878 -22.259 1.00 12.02 H new ATOM 0 HD22 LEU A 40 3.976 -24.415 -23.094 1.00 12.02 H new ATOM 0 HD23 LEU A 40 3.087 -24.411 -21.553 1.00 12.02 H new ATOM 654 N LYS A 41 5.308 -28.577 -21.126 1.00 65.23 N ATOM 655 CA LYS A 41 6.111 -29.789 -21.124 1.00 20.43 C ATOM 656 C LYS A 41 6.872 -29.828 -22.451 1.00 12.30 C ATOM 657 O LYS A 41 6.343 -30.286 -23.461 1.00 22.40 O ATOM 658 CB LYS A 41 5.246 -31.035 -20.862 1.00 5.30 C ATOM 659 CG LYS A 41 3.998 -31.156 -21.751 1.00 32.41 C ATOM 660 CD LYS A 41 3.109 -32.349 -21.379 1.00 31.32 C ATOM 661 CE LYS A 41 3.804 -33.714 -21.486 1.00 24.41 C ATOM 662 NZ LYS A 41 4.545 -33.882 -22.750 1.00 25.13 N ATOM 0 H LYS A 41 4.849 -28.404 -22.020 1.00 65.23 H new ATOM 0 HA LYS A 41 6.833 -29.787 -20.307 1.00 20.43 H new ATOM 0 HB2 LYS A 41 5.862 -31.923 -21.003 1.00 5.30 H new ATOM 0 HB3 LYS A 41 4.931 -31.028 -19.818 1.00 5.30 H new ATOM 0 HG2 LYS A 41 3.415 -30.238 -21.675 1.00 32.41 H new ATOM 0 HG3 LYS A 41 4.308 -31.252 -22.792 1.00 32.41 H new ATOM 0 HD2 LYS A 41 2.751 -32.216 -20.358 1.00 31.32 H new ATOM 0 HD3 LYS A 41 2.232 -32.349 -22.027 1.00 31.32 H new ATOM 0 HE2 LYS A 41 4.492 -33.833 -20.649 1.00 24.41 H new ATOM 0 HE3 LYS A 41 3.058 -34.504 -21.400 1.00 24.41 H new ATOM 0 HZ1 LYS A 41 4.484 -34.873 -23.059 1.00 25.13 H new ATOM 0 HZ2 LYS A 41 4.132 -33.266 -23.479 1.00 25.13 H new ATOM 0 HZ3 LYS A 41 5.542 -33.626 -22.604 1.00 25.13 H new ATOM 676 N ASN A 42 8.104 -29.301 -22.451 1.00 11.11 N ATOM 677 CA ASN A 42 8.939 -29.186 -23.641 1.00 12.04 C ATOM 678 C ASN A 42 8.202 -28.411 -24.742 1.00 42.41 C ATOM 679 O ASN A 42 7.984 -28.924 -25.839 1.00 31.34 O ATOM 680 CB ASN A 42 9.405 -30.588 -24.068 1.00 63.51 C ATOM 681 CG ASN A 42 10.363 -30.607 -25.257 1.00 64.45 C ATOM 682 OD1 ASN A 42 10.941 -29.587 -25.629 1.00 1.14 O ATOM 683 ND2 ASN A 42 10.527 -31.786 -25.862 1.00 61.12 N ATOM 0 H ASN A 42 8.550 -28.939 -21.608 1.00 11.11 H new ATOM 0 HA ASN A 42 9.836 -28.605 -23.427 1.00 12.04 H new ATOM 0 HB2 ASN A 42 9.891 -31.069 -23.219 1.00 63.51 H new ATOM 0 HB3 ASN A 42 8.529 -31.188 -24.315 1.00 63.51 H new ATOM 0 HD21 ASN A 42 11.151 -31.865 -26.665 1.00 61.12 H new ATOM 0 HD22 ASN A 42 10.028 -32.608 -25.521 1.00 61.12 H new ATOM 690 N GLY A 43 7.806 -27.169 -24.435 1.00 74.23 N ATOM 691 CA GLY A 43 7.172 -26.263 -25.383 1.00 11.43 C ATOM 692 C GLY A 43 5.654 -26.448 -25.463 1.00 74.14 C ATOM 693 O GLY A 43 4.939 -25.472 -25.685 1.00 15.44 O ATOM 0 H GLY A 43 7.922 -26.766 -23.505 1.00 74.23 H new ATOM 0 HA2 GLY A 43 7.393 -25.234 -25.098 1.00 11.43 H new ATOM 0 HA3 GLY A 43 7.604 -26.419 -26.371 1.00 11.43 H new ATOM 697 N GLU A 44 5.159 -27.682 -25.300 1.00 74.52 N ATOM 698 CA GLU A 44 3.755 -28.018 -25.469 1.00 55.23 C ATOM 699 C GLU A 44 2.949 -27.408 -24.321 1.00 73.21 C ATOM 700 O GLU A 44 3.155 -27.785 -23.168 1.00 61.33 O ATOM 701 CB GLU A 44 3.584 -29.545 -25.476 1.00 33.22 C ATOM 702 CG GLU A 44 4.437 -30.263 -26.530 1.00 32.33 C ATOM 703 CD GLU A 44 4.239 -31.777 -26.461 1.00 52.33 C ATOM 704 OE1 GLU A 44 4.585 -32.353 -25.407 1.00 73.33 O ATOM 705 OE2 GLU A 44 3.743 -32.336 -27.464 1.00 55.11 O ATOM 0 H GLU A 44 5.739 -28.481 -25.043 1.00 74.52 H new ATOM 0 HA GLU A 44 3.395 -27.618 -26.417 1.00 55.23 H new ATOM 0 HB2 GLU A 44 3.840 -29.934 -24.490 1.00 33.22 H new ATOM 0 HB3 GLU A 44 2.534 -29.782 -25.650 1.00 33.22 H new ATOM 0 HG2 GLU A 44 4.171 -29.903 -27.524 1.00 32.33 H new ATOM 0 HG3 GLU A 44 5.489 -30.023 -26.375 1.00 32.33 H new ATOM 712 N ARG A 45 2.032 -26.482 -24.635 1.00 65.43 N ATOM 713 CA ARG A 45 1.118 -25.915 -23.653 1.00 14.34 C ATOM 714 C ARG A 45 0.159 -26.987 -23.148 1.00 12.40 C ATOM 715 O ARG A 45 -0.391 -27.762 -23.929 1.00 2.43 O ATOM 716 CB ARG A 45 0.342 -24.723 -24.232 1.00 35.35 C ATOM 717 CG ARG A 45 1.050 -23.399 -23.928 1.00 44.23 C ATOM 718 CD ARG A 45 0.270 -22.245 -24.563 1.00 74.24 C ATOM 719 NE ARG A 45 0.853 -20.936 -24.247 1.00 20.40 N ATOM 720 CZ ARG A 45 1.938 -20.392 -24.825 1.00 74.32 C ATOM 721 NH1 ARG A 45 2.659 -21.077 -25.724 1.00 42.24 N ATOM 722 NH2 ARG A 45 2.300 -19.142 -24.500 1.00 60.14 N ATOM 0 H ARG A 45 1.909 -26.110 -25.577 1.00 65.43 H new ATOM 0 HA ARG A 45 1.708 -25.546 -22.814 1.00 14.34 H new ATOM 0 HB2 ARG A 45 0.238 -24.843 -25.310 1.00 35.35 H new ATOM 0 HB3 ARG A 45 -0.665 -24.704 -23.815 1.00 35.35 H new ATOM 0 HG2 ARG A 45 1.123 -23.253 -22.850 1.00 44.23 H new ATOM 0 HG3 ARG A 45 2.068 -23.421 -24.317 1.00 44.23 H new ATOM 0 HD2 ARG A 45 0.246 -22.378 -25.645 1.00 74.24 H new ATOM 0 HD3 ARG A 45 -0.763 -22.273 -24.216 1.00 74.24 H new ATOM 0 HE ARG A 45 0.392 -20.388 -23.521 1.00 20.40 H new ATOM 0 HH11 ARG A 45 2.387 -22.026 -25.979 1.00 42.24 H new ATOM 0 HH12 ARG A 45 3.479 -20.649 -26.153 1.00 42.24 H new ATOM 0 HH21 ARG A 45 1.754 -18.613 -23.820 1.00 60.14 H new ATOM 0 HH22 ARG A 45 3.122 -18.720 -24.933 1.00 60.14 H new ATOM 736 N ILE A 46 -0.016 -27.015 -21.824 1.00 64.43 N ATOM 737 CA ILE A 46 -0.899 -27.927 -21.123 1.00 4.22 C ATOM 738 C ILE A 46 -2.230 -27.200 -20.943 1.00 71.21 C ATOM 739 O ILE A 46 -2.305 -26.243 -20.176 1.00 62.12 O ATOM 740 CB ILE A 46 -0.235 -28.323 -19.789 1.00 53.23 C ATOM 741 CG1 ILE A 46 1.083 -29.064 -20.106 1.00 20.11 C ATOM 742 CG2 ILE A 46 -1.175 -29.183 -18.929 1.00 63.32 C ATOM 743 CD1 ILE A 46 1.906 -29.466 -18.882 1.00 35.31 C ATOM 0 H ILE A 46 0.474 -26.378 -21.196 1.00 64.43 H new ATOM 0 HA ILE A 46 -1.082 -28.853 -21.668 1.00 4.22 H new ATOM 0 HB ILE A 46 -0.019 -27.429 -19.205 1.00 53.23 H new ATOM 0 HG12 ILE A 46 0.850 -29.961 -20.679 1.00 20.11 H new ATOM 0 HG13 ILE A 46 1.696 -28.428 -20.745 1.00 20.11 H new ATOM 0 HG21 ILE A 46 -0.676 -29.445 -17.996 1.00 63.32 H new ATOM 0 HG22 ILE A 46 -2.083 -28.622 -18.710 1.00 63.32 H new ATOM 0 HG23 ILE A 46 -1.433 -30.093 -19.471 1.00 63.32 H new ATOM 0 HD11 ILE A 46 2.811 -29.980 -19.205 1.00 35.31 H new ATOM 0 HD12 ILE A 46 2.177 -28.574 -18.317 1.00 35.31 H new ATOM 0 HD13 ILE A 46 1.317 -30.131 -18.250 1.00 35.31 H new ATOM 755 N GLU A 47 -3.267 -27.639 -21.665 1.00 23.52 N ATOM 756 CA GLU A 47 -4.604 -27.060 -21.600 1.00 43.31 C ATOM 757 C GLU A 47 -5.323 -27.507 -20.325 1.00 13.34 C ATOM 758 O GLU A 47 -6.032 -26.714 -19.707 1.00 12.32 O ATOM 759 CB GLU A 47 -5.429 -27.470 -22.830 1.00 3.52 C ATOM 760 CG GLU A 47 -4.972 -26.811 -24.140 1.00 11.01 C ATOM 761 CD GLU A 47 -3.605 -27.290 -24.623 1.00 63.42 C ATOM 762 OE1 GLU A 47 -3.409 -28.525 -24.649 1.00 72.24 O ATOM 763 OE2 GLU A 47 -2.785 -26.410 -24.963 1.00 71.15 O ATOM 0 H GLU A 47 -3.195 -28.418 -22.319 1.00 23.52 H new ATOM 0 HA GLU A 47 -4.502 -25.975 -21.587 1.00 43.31 H new ATOM 0 HB2 GLU A 47 -5.378 -28.553 -22.944 1.00 3.52 H new ATOM 0 HB3 GLU A 47 -6.474 -27.217 -22.654 1.00 3.52 H new ATOM 0 HG2 GLU A 47 -5.712 -27.011 -24.915 1.00 11.01 H new ATOM 0 HG3 GLU A 47 -4.940 -25.730 -24.001 1.00 11.01 H new ATOM 770 N LYS A 48 -5.156 -28.782 -19.949 1.00 4.11 N ATOM 771 CA LYS A 48 -5.815 -29.401 -18.808 1.00 12.32 C ATOM 772 C LYS A 48 -5.024 -29.078 -17.539 1.00 35.45 C ATOM 773 O LYS A 48 -4.344 -29.937 -16.979 1.00 20.13 O ATOM 774 CB LYS A 48 -5.948 -30.909 -19.063 1.00 21.44 C ATOM 775 CG LYS A 48 -6.797 -31.162 -20.317 1.00 40.05 C ATOM 776 CD LYS A 48 -6.990 -32.663 -20.554 1.00 2.55 C ATOM 777 CE LYS A 48 -7.691 -32.935 -21.891 1.00 64.43 C ATOM 778 NZ LYS A 48 -6.823 -32.632 -23.043 1.00 34.44 N ATOM 0 H LYS A 48 -4.540 -29.423 -20.449 1.00 4.11 H new ATOM 0 HA LYS A 48 -6.822 -29.007 -18.671 1.00 12.32 H new ATOM 0 HB2 LYS A 48 -4.960 -31.353 -19.188 1.00 21.44 H new ATOM 0 HB3 LYS A 48 -6.407 -31.392 -18.200 1.00 21.44 H new ATOM 0 HG2 LYS A 48 -7.768 -30.680 -20.207 1.00 40.05 H new ATOM 0 HG3 LYS A 48 -6.314 -30.712 -21.185 1.00 40.05 H new ATOM 0 HD2 LYS A 48 -6.021 -33.162 -20.542 1.00 2.55 H new ATOM 0 HD3 LYS A 48 -7.578 -33.088 -19.741 1.00 2.55 H new ATOM 0 HE2 LYS A 48 -7.997 -33.980 -21.933 1.00 64.43 H new ATOM 0 HE3 LYS A 48 -8.598 -32.334 -21.953 1.00 64.43 H new ATOM 0 HZ1 LYS A 48 -7.259 -33.001 -23.912 1.00 34.44 H new ATOM 0 HZ2 LYS A 48 -6.703 -31.602 -23.126 1.00 34.44 H new ATOM 0 HZ3 LYS A 48 -5.894 -33.079 -22.905 1.00 34.44 H new ATOM 792 N VAL A 49 -5.110 -27.813 -17.111 1.00 15.14 N ATOM 793 CA VAL A 49 -4.380 -27.271 -15.977 1.00 2.41 C ATOM 794 C VAL A 49 -5.181 -27.528 -14.704 1.00 2.10 C ATOM 795 O VAL A 49 -6.374 -27.226 -14.654 1.00 64.12 O ATOM 796 CB VAL A 49 -4.153 -25.765 -16.183 1.00 44.42 C ATOM 797 CG1 VAL A 49 -3.395 -25.164 -14.995 1.00 40.01 C ATOM 798 CG2 VAL A 49 -3.390 -25.487 -17.483 1.00 21.35 C ATOM 0 H VAL A 49 -5.710 -27.123 -17.564 1.00 15.14 H new ATOM 0 HA VAL A 49 -3.408 -27.756 -15.889 1.00 2.41 H new ATOM 0 HB VAL A 49 -5.133 -25.294 -16.254 1.00 44.42 H new ATOM 0 HG11 VAL A 49 -3.245 -24.097 -15.161 1.00 40.01 H new ATOM 0 HG12 VAL A 49 -3.973 -25.311 -14.083 1.00 40.01 H new ATOM 0 HG13 VAL A 49 -2.427 -25.655 -14.895 1.00 40.01 H new ATOM 0 HG21 VAL A 49 -3.246 -24.413 -17.598 1.00 21.35 H new ATOM 0 HG22 VAL A 49 -2.419 -25.981 -17.448 1.00 21.35 H new ATOM 0 HG23 VAL A 49 -3.961 -25.869 -18.329 1.00 21.35 H new ATOM 808 N GLU A 50 -4.517 -28.065 -13.674 1.00 64.44 N ATOM 809 CA GLU A 50 -5.136 -28.340 -12.390 1.00 33.23 C ATOM 810 C GLU A 50 -4.902 -27.162 -11.445 1.00 51.32 C ATOM 811 O GLU A 50 -4.181 -26.220 -11.771 1.00 61.12 O ATOM 812 CB GLU A 50 -4.603 -29.667 -11.833 1.00 63.42 C ATOM 813 CG GLU A 50 -4.853 -30.851 -12.778 1.00 54.43 C ATOM 814 CD GLU A 50 -6.314 -30.956 -13.204 1.00 62.14 C ATOM 815 OE1 GLU A 50 -6.589 -30.635 -14.382 1.00 62.13 O ATOM 816 OE2 GLU A 50 -7.131 -31.343 -12.341 1.00 41.41 O ATOM 0 H GLU A 50 -3.530 -28.319 -13.717 1.00 64.44 H new ATOM 0 HA GLU A 50 -6.214 -28.451 -12.503 1.00 33.23 H new ATOM 0 HB2 GLU A 50 -3.533 -29.575 -11.648 1.00 63.42 H new ATOM 0 HB3 GLU A 50 -5.076 -29.869 -10.872 1.00 63.42 H new ATOM 0 HG2 GLU A 50 -4.226 -30.745 -13.663 1.00 54.43 H new ATOM 0 HG3 GLU A 50 -4.554 -31.776 -12.285 1.00 54.43 H new ATOM 823 N HIS A 51 -5.576 -27.194 -10.295 1.00 40.12 N ATOM 824 CA HIS A 51 -5.675 -26.074 -9.374 1.00 54.25 C ATOM 825 C HIS A 51 -6.333 -26.576 -8.088 1.00 12.01 C ATOM 826 O HIS A 51 -7.019 -27.598 -8.108 1.00 1.14 O ATOM 827 CB HIS A 51 -6.510 -24.954 -10.011 1.00 32.50 C ATOM 828 CG HIS A 51 -7.801 -25.441 -10.618 1.00 42.22 C ATOM 829 ND1 HIS A 51 -7.891 -25.857 -11.939 1.00 73.31 N ATOM 830 CD2 HIS A 51 -9.055 -25.634 -10.091 1.00 63.24 C ATOM 831 CE1 HIS A 51 -9.154 -26.266 -12.143 1.00 44.33 C ATOM 832 NE2 HIS A 51 -9.918 -26.150 -11.054 1.00 1.23 N ATOM 0 H HIS A 51 -6.079 -28.022 -9.975 1.00 40.12 H new ATOM 0 HA HIS A 51 -4.688 -25.671 -9.148 1.00 54.25 H new ATOM 0 HB2 HIS A 51 -6.734 -24.202 -9.254 1.00 32.50 H new ATOM 0 HB3 HIS A 51 -5.917 -24.463 -10.782 1.00 32.50 H new ATOM 0 HD2 HIS A 51 -9.333 -25.416 -9.071 1.00 63.24 H new ATOM 0 HE1 HIS A 51 -9.513 -26.648 -13.087 1.00 44.33 H new ATOM 0 HE2 HIS A 51 -10.905 -26.385 -10.951 1.00 1.23 H new ATOM 840 N SER A 52 -6.146 -25.852 -6.978 1.00 1.05 N ATOM 841 CA SER A 52 -6.817 -26.161 -5.722 1.00 43.44 C ATOM 842 C SER A 52 -8.235 -25.581 -5.748 1.00 35.41 C ATOM 843 O SER A 52 -9.147 -26.243 -6.238 1.00 32.21 O ATOM 844 CB SER A 52 -5.981 -25.678 -4.529 1.00 2.11 C ATOM 845 OG SER A 52 -4.756 -26.379 -4.486 1.00 73.13 O ATOM 0 H SER A 52 -5.528 -25.042 -6.931 1.00 1.05 H new ATOM 0 HA SER A 52 -6.912 -27.240 -5.601 1.00 43.44 H new ATOM 0 HB2 SER A 52 -5.795 -24.607 -4.614 1.00 2.11 H new ATOM 0 HB3 SER A 52 -6.532 -25.833 -3.601 1.00 2.11 H new ATOM 0 HG SER A 52 -4.226 -26.065 -3.724 1.00 73.13 H new ATOM 851 N ASP A 53 -8.426 -24.361 -5.226 1.00 3.31 N ATOM 852 CA ASP A 53 -9.738 -23.736 -5.088 1.00 32.43 C ATOM 853 C ASP A 53 -9.623 -22.234 -4.786 1.00 51.53 C ATOM 854 O ASP A 53 -10.554 -21.658 -4.227 1.00 53.42 O ATOM 855 CB ASP A 53 -10.526 -24.456 -3.978 1.00 12.42 C ATOM 856 CG ASP A 53 -9.787 -24.432 -2.639 1.00 42.54 C ATOM 857 OD1 ASP A 53 -9.983 -23.452 -1.888 1.00 13.23 O ATOM 858 OD2 ASP A 53 -9.031 -25.397 -2.390 1.00 20.14 O ATOM 0 H ASP A 53 -7.661 -23.778 -4.885 1.00 3.31 H new ATOM 0 HA ASP A 53 -10.270 -23.830 -6.035 1.00 32.43 H new ATOM 0 HB2 ASP A 53 -11.501 -23.983 -3.862 1.00 12.42 H new ATOM 0 HB3 ASP A 53 -10.706 -25.490 -4.274 1.00 12.42 H new ATOM 863 N LEU A 54 -8.487 -21.606 -5.129 1.00 60.35 N ATOM 864 CA LEU A 54 -8.113 -20.273 -4.671 1.00 20.42 C ATOM 865 C LEU A 54 -8.172 -20.229 -3.139 1.00 54.52 C ATOM 866 O LEU A 54 -9.126 -19.722 -2.552 1.00 22.23 O ATOM 867 CB LEU A 54 -8.971 -19.190 -5.346 1.00 72.35 C ATOM 868 CG LEU A 54 -8.479 -17.773 -5.006 1.00 52.33 C ATOM 869 CD1 LEU A 54 -7.206 -17.410 -5.777 1.00 45.42 C ATOM 870 CD2 LEU A 54 -9.570 -16.754 -5.350 1.00 5.11 C ATOM 0 H LEU A 54 -7.793 -22.027 -5.746 1.00 60.35 H new ATOM 0 HA LEU A 54 -7.087 -20.055 -4.967 1.00 20.42 H new ATOM 0 HB2 LEU A 54 -8.950 -19.332 -6.427 1.00 72.35 H new ATOM 0 HB3 LEU A 54 -10.008 -19.300 -5.030 1.00 72.35 H new ATOM 0 HG LEU A 54 -8.253 -17.751 -3.940 1.00 52.33 H new ATOM 0 HD11 LEU A 54 -6.893 -16.401 -5.508 1.00 45.42 H new ATOM 0 HD12 LEU A 54 -6.414 -18.116 -5.525 1.00 45.42 H new ATOM 0 HD13 LEU A 54 -7.404 -17.454 -6.848 1.00 45.42 H new ATOM 0 HD21 LEU A 54 -9.220 -15.750 -5.108 1.00 5.11 H new ATOM 0 HD22 LEU A 54 -9.800 -16.812 -6.414 1.00 5.11 H new ATOM 0 HD23 LEU A 54 -10.468 -16.974 -4.773 1.00 5.11 H new ATOM 882 N SER A 55 -7.148 -20.806 -2.505 1.00 51.11 N ATOM 883 CA SER A 55 -7.132 -21.085 -1.077 1.00 2.11 C ATOM 884 C SER A 55 -6.510 -19.910 -0.326 1.00 4.34 C ATOM 885 O SER A 55 -5.411 -19.475 -0.661 1.00 22.25 O ATOM 886 CB SER A 55 -6.353 -22.377 -0.818 1.00 13.00 C ATOM 887 OG SER A 55 -6.789 -23.406 -1.680 1.00 72.54 O ATOM 0 H SER A 55 -6.295 -21.095 -2.983 1.00 51.11 H new ATOM 0 HA SER A 55 -8.152 -21.217 -0.716 1.00 2.11 H new ATOM 0 HB2 SER A 55 -5.288 -22.200 -0.965 1.00 13.00 H new ATOM 0 HB3 SER A 55 -6.485 -22.685 0.219 1.00 13.00 H new ATOM 0 HG SER A 55 -6.278 -24.222 -1.499 1.00 72.54 H new ATOM 893 N PHE A 56 -7.221 -19.397 0.683 1.00 4.40 N ATOM 894 CA PHE A 56 -6.834 -18.221 1.448 1.00 54.54 C ATOM 895 C PHE A 56 -6.137 -18.656 2.737 1.00 1.04 C ATOM 896 O PHE A 56 -6.763 -19.308 3.572 1.00 74.14 O ATOM 897 CB PHE A 56 -8.093 -17.404 1.760 1.00 54.42 C ATOM 898 CG PHE A 56 -8.896 -17.027 0.530 1.00 25.44 C ATOM 899 CD1 PHE A 56 -10.063 -17.742 0.197 1.00 31.51 C ATOM 900 CD2 PHE A 56 -8.439 -16.004 -0.319 1.00 13.23 C ATOM 901 CE1 PHE A 56 -10.790 -17.406 -0.957 1.00 23.52 C ATOM 902 CE2 PHE A 56 -9.161 -15.675 -1.480 1.00 4.02 C ATOM 903 CZ PHE A 56 -10.344 -16.366 -1.791 1.00 24.13 C ATOM 0 H PHE A 56 -8.104 -19.803 0.994 1.00 4.40 H new ATOM 0 HA PHE A 56 -6.140 -17.606 0.875 1.00 54.54 H new ATOM 0 HB2 PHE A 56 -8.728 -17.976 2.436 1.00 54.42 H new ATOM 0 HB3 PHE A 56 -7.804 -16.495 2.287 1.00 54.42 H new ATOM 0 HD1 PHE A 56 -10.399 -18.550 0.830 1.00 31.51 H new ATOM 0 HD2 PHE A 56 -7.532 -15.470 -0.079 1.00 13.23 H new ATOM 0 HE1 PHE A 56 -11.692 -17.947 -1.204 1.00 23.52 H new ATOM 0 HE2 PHE A 56 -8.806 -14.891 -2.133 1.00 4.02 H new ATOM 0 HZ PHE A 56 -10.911 -16.098 -2.671 1.00 24.13 H new ATOM 913 N SER A 57 -4.855 -18.301 2.913 1.00 73.14 N ATOM 914 CA SER A 57 -4.128 -18.626 4.137 1.00 11.50 C ATOM 915 C SER A 57 -4.762 -17.909 5.330 1.00 62.41 C ATOM 916 O SER A 57 -5.173 -18.560 6.289 1.00 0.11 O ATOM 917 CB SER A 57 -2.638 -18.284 4.010 1.00 24.10 C ATOM 918 OG SER A 57 -2.097 -18.834 2.829 1.00 33.34 O ATOM 0 H SER A 57 -4.306 -17.790 2.221 1.00 73.14 H new ATOM 0 HA SER A 57 -4.197 -19.701 4.303 1.00 11.50 H new ATOM 0 HB2 SER A 57 -2.508 -17.202 4.006 1.00 24.10 H new ATOM 0 HB3 SER A 57 -2.097 -18.667 4.876 1.00 24.10 H new ATOM 0 HG SER A 57 -2.690 -19.539 2.495 1.00 33.34 H new ATOM 965 N SER A 61 -3.182 -14.209 0.548 1.00 20.25 N ATOM 966 CA SER A 61 -2.158 -15.197 0.244 1.00 0.44 C ATOM 967 C SER A 61 -2.855 -16.384 -0.417 1.00 13.05 C ATOM 968 O SER A 61 -3.508 -17.179 0.259 1.00 53.34 O ATOM 969 CB SER A 61 -1.419 -15.618 1.518 1.00 44.12 C ATOM 970 OG SER A 61 -0.532 -14.607 1.947 1.00 51.32 O ATOM 0 HA SER A 61 -1.407 -14.784 -0.429 1.00 0.44 H new ATOM 0 HB2 SER A 61 -2.140 -15.832 2.307 1.00 44.12 H new ATOM 0 HB3 SER A 61 -0.865 -16.538 1.334 1.00 44.12 H new ATOM 0 HG SER A 61 -0.074 -14.899 2.763 1.00 51.32 H new ATOM 976 N PHE A 62 -2.747 -16.455 -1.748 1.00 64.41 N ATOM 977 CA PHE A 62 -3.543 -17.327 -2.596 1.00 32.41 C ATOM 978 C PHE A 62 -2.722 -18.568 -2.960 1.00 25.41 C ATOM 979 O PHE A 62 -1.882 -18.497 -3.854 1.00 12.11 O ATOM 980 CB PHE A 62 -3.980 -16.523 -3.833 1.00 11.03 C ATOM 981 CG PHE A 62 -4.618 -15.168 -3.544 1.00 51.13 C ATOM 982 CD1 PHE A 62 -5.529 -15.005 -2.480 1.00 0.43 C ATOM 983 CD2 PHE A 62 -4.252 -14.045 -4.312 1.00 44.03 C ATOM 984 CE1 PHE A 62 -6.030 -13.730 -2.165 1.00 35.22 C ATOM 985 CE2 PHE A 62 -4.750 -12.771 -3.992 1.00 60.31 C ATOM 986 CZ PHE A 62 -5.643 -12.613 -2.921 1.00 34.41 C ATOM 0 H PHE A 62 -2.082 -15.888 -2.273 1.00 64.41 H new ATOM 0 HA PHE A 62 -4.439 -17.677 -2.083 1.00 32.41 H new ATOM 0 HB2 PHE A 62 -3.109 -16.367 -4.469 1.00 11.03 H new ATOM 0 HB3 PHE A 62 -4.688 -17.124 -4.404 1.00 11.03 H new ATOM 0 HD1 PHE A 62 -5.843 -15.863 -1.905 1.00 0.43 H new ATOM 0 HD2 PHE A 62 -3.584 -14.164 -5.152 1.00 44.03 H new ATOM 0 HE1 PHE A 62 -6.715 -13.610 -1.339 1.00 35.22 H new ATOM 0 HE2 PHE A 62 -4.445 -11.912 -4.571 1.00 60.31 H new ATOM 0 HZ PHE A 62 -6.031 -11.635 -2.679 1.00 34.41 H new ATOM 996 N TYR A 63 -2.927 -19.686 -2.244 1.00 45.01 N ATOM 997 CA TYR A 63 -2.082 -20.872 -2.369 1.00 12.52 C ATOM 998 C TYR A 63 -2.728 -21.996 -3.179 1.00 14.42 C ATOM 999 O TYR A 63 -3.569 -22.732 -2.670 1.00 11.15 O ATOM 1000 CB TYR A 63 -1.568 -21.333 -0.998 1.00 22.23 C ATOM 1001 CG TYR A 63 -2.563 -21.941 -0.024 1.00 2.14 C ATOM 1002 CD1 TYR A 63 -3.293 -21.117 0.850 1.00 1.30 C ATOM 1003 CD2 TYR A 63 -2.666 -23.341 0.092 1.00 0.03 C ATOM 1004 CE1 TYR A 63 -4.145 -21.689 1.809 1.00 62.15 C ATOM 1005 CE2 TYR A 63 -3.521 -23.912 1.049 1.00 13.35 C ATOM 1006 CZ TYR A 63 -4.267 -23.085 1.904 1.00 31.22 C ATOM 1007 OH TYR A 63 -5.115 -23.631 2.823 1.00 34.30 O ATOM 0 H TYR A 63 -3.682 -19.787 -1.566 1.00 45.01 H new ATOM 0 HA TYR A 63 -1.211 -20.579 -2.956 1.00 12.52 H new ATOM 0 HB2 TYR A 63 -0.779 -22.065 -1.168 1.00 22.23 H new ATOM 0 HB3 TYR A 63 -1.107 -20.475 -0.510 1.00 22.23 H new ATOM 0 HD1 TYR A 63 -3.199 -20.043 0.784 1.00 1.30 H new ATOM 0 HD2 TYR A 63 -2.085 -23.978 -0.558 1.00 0.03 H new ATOM 0 HE1 TYR A 63 -4.708 -21.053 2.476 1.00 62.15 H new ATOM 0 HE2 TYR A 63 -3.605 -24.986 1.127 1.00 13.35 H new ATOM 0 HH TYR A 63 -5.083 -24.608 2.758 1.00 34.30 H new ATOM 1017 N LEU A 64 -2.315 -22.140 -4.444 1.00 1.15 N ATOM 1018 CA LEU A 64 -2.827 -23.180 -5.327 1.00 22.50 C ATOM 1019 C LEU A 64 -1.772 -24.255 -5.566 1.00 15.42 C ATOM 1020 O LEU A 64 -0.592 -24.052 -5.287 1.00 21.21 O ATOM 1021 CB LEU A 64 -3.273 -22.571 -6.658 1.00 11.45 C ATOM 1022 CG LEU A 64 -4.492 -21.645 -6.490 1.00 22.13 C ATOM 1023 CD1 LEU A 64 -4.045 -20.191 -6.607 1.00 42.33 C ATOM 1024 CD2 LEU A 64 -5.545 -21.942 -7.562 1.00 53.32 C ATOM 0 H LEU A 64 -1.617 -21.536 -4.878 1.00 1.15 H new ATOM 0 HA LEU A 64 -3.687 -23.645 -4.846 1.00 22.50 H new ATOM 0 HB2 LEU A 64 -2.448 -22.008 -7.094 1.00 11.45 H new ATOM 0 HB3 LEU A 64 -3.518 -23.370 -7.358 1.00 11.45 H new ATOM 0 HG LEU A 64 -4.932 -21.820 -5.508 1.00 22.13 H new ATOM 0 HD11 LEU A 64 -4.907 -19.535 -6.488 1.00 42.33 H new ATOM 0 HD12 LEU A 64 -3.312 -19.972 -5.830 1.00 42.33 H new ATOM 0 HD13 LEU A 64 -3.596 -20.026 -7.586 1.00 42.33 H new ATOM 0 HD21 LEU A 64 -6.399 -21.278 -7.427 1.00 53.32 H new ATOM 0 HD22 LEU A 64 -5.113 -21.782 -8.550 1.00 53.32 H new ATOM 0 HD23 LEU A 64 -5.873 -22.978 -7.473 1.00 53.32 H new ATOM 1036 N LEU A 65 -2.221 -25.386 -6.118 1.00 4.20 N ATOM 1037 CA LEU A 65 -1.395 -26.493 -6.561 1.00 11.12 C ATOM 1038 C LEU A 65 -1.784 -26.780 -8.011 1.00 43.12 C ATOM 1039 O LEU A 65 -2.924 -27.160 -8.266 1.00 2.21 O ATOM 1040 CB LEU A 65 -1.656 -27.700 -5.648 1.00 15.34 C ATOM 1041 CG LEU A 65 -0.712 -28.880 -5.924 1.00 44.41 C ATOM 1042 CD1 LEU A 65 0.684 -28.625 -5.347 1.00 2.31 C ATOM 1043 CD2 LEU A 65 -1.284 -30.155 -5.290 1.00 21.42 C ATOM 0 H LEU A 65 -3.215 -25.554 -6.271 1.00 4.20 H new ATOM 0 HA LEU A 65 -0.330 -26.267 -6.509 1.00 11.12 H new ATOM 0 HB2 LEU A 65 -1.548 -27.391 -4.608 1.00 15.34 H new ATOM 0 HB3 LEU A 65 -2.687 -28.029 -5.777 1.00 15.34 H new ATOM 0 HG LEU A 65 -0.627 -28.996 -7.005 1.00 44.41 H new ATOM 0 HD11 LEU A 65 1.327 -29.479 -5.560 1.00 2.31 H new ATOM 0 HD12 LEU A 65 1.108 -27.730 -5.802 1.00 2.31 H new ATOM 0 HD13 LEU A 65 0.612 -28.485 -4.268 1.00 2.31 H new ATOM 0 HD21 LEU A 65 -0.613 -30.991 -5.487 1.00 21.42 H new ATOM 0 HD22 LEU A 65 -1.382 -30.014 -4.214 1.00 21.42 H new ATOM 0 HD23 LEU A 65 -2.263 -30.367 -5.719 1.00 21.42 H new ATOM 1055 N TYR A 66 -0.855 -26.577 -8.954 1.00 32.35 N ATOM 1056 CA TYR A 66 -1.085 -26.789 -10.377 1.00 32.23 C ATOM 1057 C TYR A 66 -0.471 -28.135 -10.774 1.00 45.45 C ATOM 1058 O TYR A 66 0.660 -28.192 -11.254 1.00 55.44 O ATOM 1059 CB TYR A 66 -0.519 -25.613 -11.190 1.00 75.32 C ATOM 1060 CG TYR A 66 -1.183 -24.270 -10.939 1.00 33.51 C ATOM 1061 CD1 TYR A 66 -0.803 -23.480 -9.837 1.00 44.01 C ATOM 1062 CD2 TYR A 66 -2.096 -23.753 -11.876 1.00 22.50 C ATOM 1063 CE1 TYR A 66 -1.337 -22.190 -9.676 1.00 73.34 C ATOM 1064 CE2 TYR A 66 -2.636 -22.467 -11.711 1.00 14.13 C ATOM 1065 CZ TYR A 66 -2.250 -21.679 -10.614 1.00 1.04 C ATOM 1066 OH TYR A 66 -2.752 -20.418 -10.470 1.00 31.20 O ATOM 0 H TYR A 66 0.089 -26.256 -8.740 1.00 32.35 H new ATOM 0 HA TYR A 66 -2.152 -26.825 -10.594 1.00 32.23 H new ATOM 0 HB2 TYR A 66 0.545 -25.520 -10.971 1.00 75.32 H new ATOM 0 HB3 TYR A 66 -0.607 -25.850 -12.250 1.00 75.32 H new ATOM 0 HD1 TYR A 66 -0.100 -23.866 -9.114 1.00 44.01 H new ATOM 0 HD2 TYR A 66 -2.384 -24.350 -12.729 1.00 22.50 H new ATOM 0 HE1 TYR A 66 -1.044 -21.589 -8.828 1.00 73.34 H new ATOM 0 HE2 TYR A 66 -3.348 -22.084 -12.427 1.00 14.13 H new ATOM 0 HH TYR A 66 -3.368 -20.225 -11.207 1.00 31.20 H new ATOM 1076 N TYR A 67 -1.224 -29.217 -10.528 1.00 3.41 N ATOM 1077 CA TYR A 67 -0.731 -30.594 -10.549 1.00 11.34 C ATOM 1078 C TYR A 67 -1.079 -31.314 -11.853 1.00 4.45 C ATOM 1079 O TYR A 67 -2.007 -32.118 -11.896 1.00 12.20 O ATOM 1080 CB TYR A 67 -1.199 -31.384 -9.312 1.00 44.34 C ATOM 1081 CG TYR A 67 -2.696 -31.427 -9.035 1.00 13.14 C ATOM 1082 CD1 TYR A 67 -3.299 -30.378 -8.320 1.00 65.34 C ATOM 1083 CD2 TYR A 67 -3.471 -32.550 -9.389 1.00 31.33 C ATOM 1084 CE1 TYR A 67 -4.678 -30.392 -8.056 1.00 65.12 C ATOM 1085 CE2 TYR A 67 -4.859 -32.550 -9.163 1.00 43.03 C ATOM 1086 CZ TYR A 67 -5.466 -31.463 -8.509 1.00 11.21 C ATOM 1087 OH TYR A 67 -6.816 -31.445 -8.309 1.00 65.22 O ATOM 0 H TYR A 67 -2.217 -29.153 -10.304 1.00 3.41 H new ATOM 0 HA TYR A 67 0.357 -30.541 -10.505 1.00 11.34 H new ATOM 0 HB2 TYR A 67 -0.845 -32.410 -9.414 1.00 44.34 H new ATOM 0 HB3 TYR A 67 -0.706 -30.962 -8.436 1.00 44.34 H new ATOM 0 HD1 TYR A 67 -2.696 -29.553 -7.970 1.00 65.34 H new ATOM 0 HD2 TYR A 67 -2.998 -33.412 -9.835 1.00 31.33 H new ATOM 0 HE1 TYR A 67 -5.132 -29.581 -7.506 1.00 65.12 H new ATOM 0 HE2 TYR A 67 -5.459 -33.385 -9.492 1.00 43.03 H new ATOM 0 HH TYR A 67 -7.213 -32.259 -8.683 1.00 65.22 H new ATOM 1097 N THR A 68 -0.302 -31.072 -12.913 1.00 35.14 N ATOM 1098 CA THR A 68 -0.462 -31.810 -14.163 1.00 2.43 C ATOM 1099 C THR A 68 0.186 -33.191 -14.055 1.00 41.51 C ATOM 1100 O THR A 68 1.190 -33.357 -13.363 1.00 51.54 O ATOM 1101 CB THR A 68 0.091 -31.023 -15.357 1.00 61.44 C ATOM 1102 OG1 THR A 68 -0.229 -31.718 -16.544 1.00 71.14 O ATOM 1103 CG2 THR A 68 1.608 -30.820 -15.281 1.00 52.23 C ATOM 0 H THR A 68 0.441 -30.373 -12.928 1.00 35.14 H new ATOM 0 HA THR A 68 -1.529 -31.948 -14.339 1.00 2.43 H new ATOM 0 HB THR A 68 -0.366 -30.033 -15.343 1.00 61.44 H new ATOM 0 HG1 THR A 68 0.577 -31.815 -17.093 1.00 71.14 H new ATOM 0 HG21 THR A 68 1.944 -30.257 -16.152 1.00 52.23 H new ATOM 0 HG22 THR A 68 1.856 -30.268 -14.374 1.00 52.23 H new ATOM 0 HG23 THR A 68 2.104 -31.790 -15.263 1.00 52.23 H new ATOM 1111 N GLU A 69 -0.390 -34.172 -14.759 1.00 11.22 N ATOM 1112 CA GLU A 69 0.104 -35.537 -14.805 1.00 14.14 C ATOM 1113 C GLU A 69 1.168 -35.652 -15.905 1.00 41.13 C ATOM 1114 O GLU A 69 0.857 -35.981 -17.049 1.00 63.13 O ATOM 1115 CB GLU A 69 -1.080 -36.494 -15.001 1.00 13.14 C ATOM 1116 CG GLU A 69 -0.609 -37.945 -14.870 1.00 22.15 C ATOM 1117 CD GLU A 69 -1.742 -38.957 -15.013 1.00 32.20 C ATOM 1118 OE1 GLU A 69 -2.817 -38.710 -14.422 1.00 23.14 O ATOM 1119 OE2 GLU A 69 -1.506 -39.975 -15.700 1.00 1.21 O ATOM 0 H GLU A 69 -1.229 -34.028 -15.321 1.00 11.22 H new ATOM 0 HA GLU A 69 0.586 -35.815 -13.868 1.00 14.14 H new ATOM 0 HB2 GLU A 69 -1.853 -36.286 -14.261 1.00 13.14 H new ATOM 0 HB3 GLU A 69 -1.527 -36.336 -15.982 1.00 13.14 H new ATOM 0 HG2 GLU A 69 0.147 -38.145 -15.629 1.00 22.15 H new ATOM 0 HG3 GLU A 69 -0.130 -38.079 -13.900 1.00 22.15 H new ATOM 1126 N PHE A 70 2.425 -35.365 -15.545 1.00 60.21 N ATOM 1127 CA PHE A 70 3.573 -35.393 -16.441 1.00 52.33 C ATOM 1128 C PHE A 70 4.232 -36.775 -16.423 1.00 62.43 C ATOM 1129 O PHE A 70 4.415 -37.351 -15.353 1.00 60.24 O ATOM 1130 CB PHE A 70 4.571 -34.297 -16.036 1.00 35.11 C ATOM 1131 CG PHE A 70 5.554 -34.662 -14.934 1.00 11.50 C ATOM 1132 CD1 PHE A 70 6.895 -34.945 -15.246 1.00 34.41 C ATOM 1133 CD2 PHE A 70 5.123 -34.760 -13.602 1.00 44.43 C ATOM 1134 CE1 PHE A 70 7.821 -35.206 -14.223 1.00 5.03 C ATOM 1135 CE2 PHE A 70 6.047 -35.020 -12.575 1.00 75.11 C ATOM 1136 CZ PHE A 70 7.398 -35.233 -12.885 1.00 21.50 C ATOM 0 H PHE A 70 2.672 -35.100 -14.592 1.00 60.21 H new ATOM 0 HA PHE A 70 3.239 -35.198 -17.460 1.00 52.33 H new ATOM 0 HB2 PHE A 70 5.139 -34.006 -16.920 1.00 35.11 H new ATOM 0 HB3 PHE A 70 4.007 -33.420 -15.717 1.00 35.11 H new ATOM 0 HD1 PHE A 70 7.215 -34.962 -16.277 1.00 34.41 H new ATOM 0 HD2 PHE A 70 4.077 -34.635 -13.365 1.00 44.43 H new ATOM 0 HE1 PHE A 70 8.858 -35.386 -14.466 1.00 5.03 H new ATOM 0 HE2 PHE A 70 5.717 -35.056 -11.547 1.00 75.11 H new ATOM 0 HZ PHE A 70 8.112 -35.417 -12.096 1.00 21.50 H new ATOM 1146 N THR A 71 4.601 -37.305 -17.595 1.00 71.34 N ATOM 1147 CA THR A 71 5.220 -38.621 -17.705 1.00 0.42 C ATOM 1148 C THR A 71 6.709 -38.472 -18.048 1.00 34.44 C ATOM 1149 O THR A 71 7.028 -38.297 -19.223 1.00 64.11 O ATOM 1150 CB THR A 71 4.462 -39.454 -18.750 1.00 63.45 C ATOM 1151 OG1 THR A 71 3.087 -39.485 -18.421 1.00 13.42 O ATOM 1152 CG2 THR A 71 4.988 -40.895 -18.778 1.00 34.42 C ATOM 0 H THR A 71 4.477 -36.831 -18.489 1.00 71.34 H new ATOM 0 HA THR A 71 5.160 -39.147 -16.752 1.00 0.42 H new ATOM 0 HB THR A 71 4.611 -38.996 -19.728 1.00 63.45 H new ATOM 0 HG1 THR A 71 2.603 -40.015 -19.088 1.00 13.42 H new ATOM 0 HG21 THR A 71 4.438 -41.469 -19.524 1.00 34.42 H new ATOM 0 HG22 THR A 71 6.048 -40.891 -19.032 1.00 34.42 H new ATOM 0 HG23 THR A 71 4.852 -41.351 -17.797 1.00 34.42 H new ATOM 1160 N PRO A 72 7.628 -38.542 -17.065 1.00 60.32 N ATOM 1161 CA PRO A 72 9.061 -38.411 -17.296 1.00 44.23 C ATOM 1162 C PRO A 72 9.609 -39.649 -18.011 1.00 51.12 C ATOM 1163 O PRO A 72 10.082 -40.590 -17.375 1.00 25.33 O ATOM 1164 CB PRO A 72 9.689 -38.201 -15.914 1.00 42.33 C ATOM 1165 CG PRO A 72 8.718 -38.906 -14.971 1.00 34.43 C ATOM 1166 CD PRO A 72 7.363 -38.687 -15.643 1.00 20.50 C ATOM 0 HA PRO A 72 9.299 -37.572 -17.950 1.00 44.23 H new ATOM 0 HB2 PRO A 72 10.688 -38.633 -15.857 1.00 42.33 H new ATOM 0 HB3 PRO A 72 9.785 -37.142 -15.673 1.00 42.33 H new ATOM 0 HG2 PRO A 72 8.952 -39.966 -14.870 1.00 34.43 H new ATOM 0 HG3 PRO A 72 8.745 -38.477 -13.969 1.00 34.43 H new ATOM 0 HD2 PRO A 72 6.696 -39.529 -15.456 1.00 20.50 H new ATOM 0 HD3 PRO A 72 6.872 -37.798 -15.247 1.00 20.50 H new ATOM 1174 N THR A 73 9.558 -39.619 -19.347 1.00 2.20 N ATOM 1175 CA THR A 73 10.137 -40.629 -20.216 1.00 5.20 C ATOM 1176 C THR A 73 11.620 -40.292 -20.399 1.00 20.45 C ATOM 1177 O THR A 73 12.466 -40.876 -19.725 1.00 11.53 O ATOM 1178 CB THR A 73 9.346 -40.692 -21.537 1.00 21.14 C ATOM 1179 OG1 THR A 73 7.991 -40.989 -21.261 1.00 2.25 O ATOM 1180 CG2 THR A 73 9.896 -41.768 -22.478 1.00 45.31 C ATOM 0 H THR A 73 9.098 -38.867 -19.860 1.00 2.20 H new ATOM 0 HA THR A 73 10.073 -41.628 -19.784 1.00 5.20 H new ATOM 0 HB THR A 73 9.441 -39.722 -22.025 1.00 21.14 H new ATOM 0 HG1 THR A 73 7.487 -41.028 -22.101 1.00 2.25 H new ATOM 0 HG21 THR A 73 9.311 -41.780 -23.398 1.00 45.31 H new ATOM 0 HG22 THR A 73 10.937 -41.548 -22.713 1.00 45.31 H new ATOM 0 HG23 THR A 73 9.831 -42.742 -21.994 1.00 45.31 H new ATOM 1188 N GLU A 74 11.924 -39.334 -21.285 1.00 12.45 N ATOM 1189 CA GLU A 74 13.259 -38.826 -21.569 1.00 55.23 C ATOM 1190 C GLU A 74 13.106 -37.621 -22.510 1.00 34.22 C ATOM 1191 O GLU A 74 12.076 -37.496 -23.173 1.00 20.10 O ATOM 1192 CB GLU A 74 14.135 -39.921 -22.208 1.00 63.15 C ATOM 1193 CG GLU A 74 15.628 -39.690 -21.932 1.00 15.00 C ATOM 1194 CD GLU A 74 16.503 -40.647 -22.738 1.00 40.04 C ATOM 1195 OE1 GLU A 74 16.330 -41.871 -22.557 1.00 60.44 O ATOM 1196 OE2 GLU A 74 17.332 -40.135 -23.523 1.00 71.12 O ATOM 0 H GLU A 74 11.207 -38.875 -21.846 1.00 12.45 H new ATOM 0 HA GLU A 74 13.755 -38.521 -20.647 1.00 55.23 H new ATOM 0 HB2 GLU A 74 13.840 -40.896 -21.819 1.00 63.15 H new ATOM 0 HB3 GLU A 74 13.963 -39.942 -23.284 1.00 63.15 H new ATOM 0 HG2 GLU A 74 15.889 -38.661 -22.179 1.00 15.00 H new ATOM 0 HG3 GLU A 74 15.827 -39.822 -20.868 1.00 15.00 H new ATOM 1203 N LYS A 75 14.119 -36.742 -22.556 1.00 64.33 N ATOM 1204 CA LYS A 75 14.227 -35.542 -23.388 1.00 73.33 C ATOM 1205 C LYS A 75 13.397 -34.382 -22.835 1.00 14.31 C ATOM 1206 O LYS A 75 13.908 -33.268 -22.726 1.00 43.04 O ATOM 1207 CB LYS A 75 13.916 -35.770 -24.883 1.00 13.22 C ATOM 1208 CG LYS A 75 15.028 -36.470 -25.677 1.00 3.42 C ATOM 1209 CD LYS A 75 15.097 -37.983 -25.445 1.00 1.02 C ATOM 1210 CE LYS A 75 16.259 -38.623 -26.213 1.00 54.33 C ATOM 1211 NZ LYS A 75 16.115 -38.482 -27.672 1.00 13.35 N ATOM 0 H LYS A 75 14.943 -36.864 -21.968 1.00 64.33 H new ATOM 0 HA LYS A 75 15.282 -35.272 -23.338 1.00 73.33 H new ATOM 0 HB2 LYS A 75 13.005 -36.363 -24.963 1.00 13.22 H new ATOM 0 HB3 LYS A 75 13.711 -34.805 -25.347 1.00 13.22 H new ATOM 0 HG2 LYS A 75 14.876 -36.282 -26.740 1.00 3.42 H new ATOM 0 HG3 LYS A 75 15.987 -36.027 -25.409 1.00 3.42 H new ATOM 0 HD2 LYS A 75 15.211 -38.183 -24.380 1.00 1.02 H new ATOM 0 HD3 LYS A 75 14.159 -38.442 -25.756 1.00 1.02 H new ATOM 0 HE2 LYS A 75 17.196 -38.164 -25.897 1.00 54.33 H new ATOM 0 HE3 LYS A 75 16.321 -39.681 -25.958 1.00 54.33 H new ATOM 0 HZ1 LYS A 75 16.838 -39.057 -28.149 1.00 13.35 H new ATOM 0 HZ2 LYS A 75 15.169 -38.805 -27.960 1.00 13.35 H new ATOM 0 HZ3 LYS A 75 16.236 -37.484 -27.938 1.00 13.35 H new ATOM 1225 N ASP A 76 12.119 -34.631 -22.526 1.00 12.23 N ATOM 1226 CA ASP A 76 11.171 -33.595 -22.144 1.00 44.54 C ATOM 1227 C ASP A 76 11.605 -32.943 -20.830 1.00 52.12 C ATOM 1228 O ASP A 76 11.682 -33.618 -19.804 1.00 44.11 O ATOM 1229 CB ASP A 76 9.759 -34.195 -22.047 1.00 13.14 C ATOM 1230 CG ASP A 76 8.654 -33.149 -21.851 1.00 31.23 C ATOM 1231 OD1 ASP A 76 8.825 -32.268 -20.981 1.00 60.22 O ATOM 1232 OD2 ASP A 76 7.637 -33.258 -22.571 1.00 54.31 O ATOM 0 H ASP A 76 11.717 -35.568 -22.536 1.00 12.23 H new ATOM 0 HA ASP A 76 11.152 -32.815 -22.905 1.00 44.54 H new ATOM 0 HB2 ASP A 76 9.552 -34.763 -22.954 1.00 13.14 H new ATOM 0 HB3 ASP A 76 9.730 -34.900 -21.216 1.00 13.14 H new ATOM 1237 N GLU A 77 11.871 -31.632 -20.876 1.00 44.02 N ATOM 1238 CA GLU A 77 12.137 -30.806 -19.710 1.00 32.25 C ATOM 1239 C GLU A 77 10.850 -30.085 -19.303 1.00 5.34 C ATOM 1240 O GLU A 77 10.162 -29.498 -20.138 1.00 0.30 O ATOM 1241 CB GLU A 77 13.309 -29.840 -19.952 1.00 40.24 C ATOM 1242 CG GLU A 77 13.195 -28.941 -21.193 1.00 23.11 C ATOM 1243 CD GLU A 77 13.585 -29.669 -22.478 1.00 4.02 C ATOM 1244 OE1 GLU A 77 14.806 -29.794 -22.712 1.00 71.44 O ATOM 1245 OE2 GLU A 77 12.656 -30.088 -23.201 1.00 32.41 O ATOM 0 H GLU A 77 11.906 -31.110 -21.752 1.00 44.02 H new ATOM 0 HA GLU A 77 12.450 -31.441 -18.881 1.00 32.25 H new ATOM 0 HB2 GLU A 77 13.416 -29.202 -19.074 1.00 40.24 H new ATOM 0 HB3 GLU A 77 14.225 -30.425 -20.034 1.00 40.24 H new ATOM 0 HG2 GLU A 77 12.171 -28.577 -21.281 1.00 23.11 H new ATOM 0 HG3 GLU A 77 13.834 -28.067 -21.065 1.00 23.11 H new ATOM 1252 N TYR A 78 10.518 -30.170 -18.011 1.00 31.44 N ATOM 1253 CA TYR A 78 9.260 -29.703 -17.453 1.00 34.44 C ATOM 1254 C TYR A 78 9.456 -28.352 -16.774 1.00 21.14 C ATOM 1255 O TYR A 78 10.452 -28.145 -16.080 1.00 74.54 O ATOM 1256 CB TYR A 78 8.743 -30.757 -16.471 1.00 5.00 C ATOM 1257 CG TYR A 78 8.455 -32.080 -17.152 1.00 35.11 C ATOM 1258 CD1 TYR A 78 7.281 -32.218 -17.912 1.00 51.21 C ATOM 1259 CD2 TYR A 78 9.435 -33.091 -17.192 1.00 13.22 C ATOM 1260 CE1 TYR A 78 7.064 -33.381 -18.667 1.00 20.30 C ATOM 1261 CE2 TYR A 78 9.222 -34.251 -17.959 1.00 75.43 C ATOM 1262 CZ TYR A 78 8.032 -34.397 -18.694 1.00 22.13 C ATOM 1263 OH TYR A 78 7.802 -35.527 -19.420 1.00 12.01 O ATOM 0 H TYR A 78 11.138 -30.578 -17.312 1.00 31.44 H new ATOM 0 HA TYR A 78 8.522 -29.564 -18.243 1.00 34.44 H new ATOM 0 HB2 TYR A 78 9.480 -30.909 -15.682 1.00 5.00 H new ATOM 0 HB3 TYR A 78 7.835 -30.391 -15.992 1.00 5.00 H new ATOM 0 HD1 TYR A 78 6.545 -31.428 -17.915 1.00 51.21 H new ATOM 0 HD2 TYR A 78 10.352 -32.975 -16.633 1.00 13.22 H new ATOM 0 HE1 TYR A 78 6.149 -33.495 -19.229 1.00 20.30 H new ATOM 0 HE2 TYR A 78 9.971 -35.028 -17.983 1.00 75.43 H new ATOM 0 HH TYR A 78 8.639 -36.025 -19.523 1.00 12.01 H new ATOM 1273 N ALA A 79 8.509 -27.431 -16.990 1.00 13.10 N ATOM 1274 CA ALA A 79 8.613 -26.071 -16.491 1.00 61.14 C ATOM 1275 C ALA A 79 7.240 -25.425 -16.340 1.00 53.02 C ATOM 1276 O ALA A 79 6.519 -25.257 -17.324 1.00 2.31 O ATOM 1277 CB ALA A 79 9.486 -25.240 -17.438 1.00 1.01 C ATOM 0 H ALA A 79 7.654 -27.615 -17.515 1.00 13.10 H new ATOM 0 HA ALA A 79 9.074 -26.105 -15.504 1.00 61.14 H new ATOM 0 HB1 ALA A 79 9.562 -24.220 -17.061 1.00 1.01 H new ATOM 0 HB2 ALA A 79 10.481 -25.681 -17.496 1.00 1.01 H new ATOM 0 HB3 ALA A 79 9.036 -25.227 -18.431 1.00 1.01 H new ATOM 1283 N CYS A 80 6.919 -25.005 -15.110 1.00 55.04 N ATOM 1284 CA CYS A 80 5.802 -24.113 -14.844 1.00 14.51 C ATOM 1285 C CYS A 80 6.223 -22.689 -15.205 1.00 42.43 C ATOM 1286 O CYS A 80 7.247 -22.193 -14.737 1.00 61.55 O ATOM 1287 CB CYS A 80 5.297 -24.275 -13.404 1.00 64.44 C ATOM 1288 SG CYS A 80 4.207 -25.723 -13.232 1.00 42.32 S ATOM 0 H CYS A 80 7.434 -25.280 -14.273 1.00 55.04 H new ATOM 0 HA CYS A 80 4.945 -24.368 -15.467 1.00 14.51 H new ATOM 0 HB2 CYS A 80 6.147 -24.377 -12.730 1.00 64.44 H new ATOM 0 HB3 CYS A 80 4.758 -23.376 -13.104 1.00 64.44 H new ATOM 1293 N ARG A 81 5.443 -22.079 -16.103 1.00 20.13 N ATOM 1294 CA ARG A 81 5.718 -20.825 -16.780 1.00 14.41 C ATOM 1295 C ARG A 81 4.949 -19.737 -16.034 1.00 21.24 C ATOM 1296 O ARG A 81 3.829 -19.390 -16.408 1.00 13.44 O ATOM 1297 CB ARG A 81 5.243 -20.990 -18.229 1.00 35.31 C ATOM 1298 CG ARG A 81 5.515 -19.771 -19.112 1.00 20.15 C ATOM 1299 CD ARG A 81 4.754 -19.911 -20.433 1.00 72.14 C ATOM 1300 NE ARG A 81 4.748 -18.663 -21.202 1.00 3.22 N ATOM 1301 CZ ARG A 81 5.717 -18.250 -22.036 1.00 12.32 C ATOM 1302 NH1 ARG A 81 6.837 -18.967 -22.211 1.00 22.44 N ATOM 1303 NH2 ARG A 81 5.556 -17.099 -22.704 1.00 43.02 N ATOM 0 H ARG A 81 4.549 -22.479 -16.388 1.00 20.13 H new ATOM 0 HA ARG A 81 6.773 -20.552 -16.791 1.00 14.41 H new ATOM 0 HB2 ARG A 81 5.734 -21.860 -18.665 1.00 35.31 H new ATOM 0 HB3 ARG A 81 4.172 -21.195 -18.229 1.00 35.31 H new ATOM 0 HG2 ARG A 81 5.206 -18.861 -18.598 1.00 20.15 H new ATOM 0 HG3 ARG A 81 6.584 -19.681 -19.305 1.00 20.15 H new ATOM 0 HD2 ARG A 81 5.208 -20.702 -21.030 1.00 72.14 H new ATOM 0 HD3 ARG A 81 3.727 -20.215 -20.229 1.00 72.14 H new ATOM 0 HE ARG A 81 3.937 -18.054 -21.094 1.00 3.22 H new ATOM 0 HH11 ARG A 81 6.965 -19.844 -21.706 1.00 22.44 H new ATOM 0 HH12 ARG A 81 7.560 -18.635 -22.849 1.00 22.44 H new ATOM 0 HH21 ARG A 81 4.706 -16.549 -22.576 1.00 43.02 H new ATOM 0 HH22 ARG A 81 6.283 -16.773 -23.341 1.00 43.02 H new ATOM 1317 N VAL A 82 5.531 -19.248 -14.935 1.00 15.51 N ATOM 1318 CA VAL A 82 4.814 -18.439 -13.965 1.00 52.45 C ATOM 1319 C VAL A 82 4.882 -16.969 -14.387 1.00 54.14 C ATOM 1320 O VAL A 82 5.853 -16.281 -14.077 1.00 42.31 O ATOM 1321 CB VAL A 82 5.372 -18.694 -12.549 1.00 61.54 C ATOM 1322 CG1 VAL A 82 4.519 -17.973 -11.502 1.00 0.44 C ATOM 1323 CG2 VAL A 82 5.391 -20.191 -12.202 1.00 2.34 C ATOM 0 H VAL A 82 6.511 -19.406 -14.700 1.00 15.51 H new ATOM 0 HA VAL A 82 3.761 -18.718 -13.935 1.00 52.45 H new ATOM 0 HB VAL A 82 6.393 -18.313 -12.540 1.00 61.54 H new ATOM 0 HG11 VAL A 82 4.925 -18.163 -10.508 1.00 0.44 H new ATOM 0 HG12 VAL A 82 4.529 -16.901 -11.700 1.00 0.44 H new ATOM 0 HG13 VAL A 82 3.494 -18.341 -11.551 1.00 0.44 H new ATOM 0 HG21 VAL A 82 5.791 -20.327 -11.197 1.00 2.34 H new ATOM 0 HG22 VAL A 82 4.377 -20.587 -12.246 1.00 2.34 H new ATOM 0 HG23 VAL A 82 6.019 -20.722 -12.917 1.00 2.34 H new ATOM 1333 N ASN A 83 3.842 -16.491 -15.085 1.00 24.30 N ATOM 1334 CA ASN A 83 3.655 -15.075 -15.384 1.00 1.20 C ATOM 1335 C ASN A 83 2.747 -14.482 -14.310 1.00 2.30 C ATOM 1336 O ASN A 83 1.734 -15.085 -13.966 1.00 23.32 O ATOM 1337 CB ASN A 83 3.004 -14.882 -16.758 1.00 62.14 C ATOM 1338 CG ASN A 83 3.850 -15.413 -17.909 1.00 3.23 C ATOM 1339 OD1 ASN A 83 4.592 -14.659 -18.535 1.00 1.30 O ATOM 1340 ND2 ASN A 83 3.719 -16.708 -18.208 1.00 3.01 N ATOM 0 H ASN A 83 3.103 -17.087 -15.459 1.00 24.30 H new ATOM 0 HA ASN A 83 4.625 -14.579 -15.397 1.00 1.20 H new ATOM 0 HB2 ASN A 83 2.036 -15.383 -16.767 1.00 62.14 H new ATOM 0 HB3 ASN A 83 2.814 -13.820 -16.916 1.00 62.14 H new ATOM 0 HD21 ASN A 83 4.247 -17.108 -18.984 1.00 3.01 H new ATOM 0 HD22 ASN A 83 3.091 -17.297 -17.661 1.00 3.01 H new ATOM 1347 N HIS A 84 3.102 -13.299 -13.798 1.00 0.00 N ATOM 1348 CA HIS A 84 2.310 -12.546 -12.834 1.00 0.00 C ATOM 1349 C HIS A 84 2.443 -11.058 -13.159 1.00 0.00 C ATOM 1350 O HIS A 84 3.407 -10.656 -13.808 1.00 0.00 O ATOM 1351 CB HIS A 84 2.796 -12.868 -11.412 1.00 0.00 C ATOM 1352 CG HIS A 84 1.919 -12.317 -10.315 1.00 0.00 C ATOM 1353 ND1 HIS A 84 2.460 -11.712 -9.180 1.00 0.00 N ATOM 1354 CD2 HIS A 84 0.555 -12.325 -10.197 1.00 0.00 C ATOM 1355 CE1 HIS A 84 1.405 -11.362 -8.439 1.00 0.00 C ATOM 1356 NE2 HIS A 84 0.240 -11.698 -9.011 1.00 0.00 N ATOM 0 H HIS A 84 3.972 -12.831 -14.053 1.00 0.00 H new ATOM 0 HA HIS A 84 1.257 -12.821 -12.891 1.00 0.00 H new ATOM 0 HB2 HIS A 84 2.861 -13.950 -11.300 1.00 0.00 H new ATOM 0 HB3 HIS A 84 3.804 -12.473 -11.287 1.00 0.00 H new ATOM 0 HD2 HIS A 84 -0.145 -12.745 -10.904 1.00 0.00 H new ATOM 0 HE1 HIS A 84 1.482 -10.863 -7.484 1.00 0.00 H new ATOM 0 HE2 HIS A 84 -0.695 -11.524 -8.641 1.00 0.00 H new ATOM 1364 N VAL A 85 1.474 -10.242 -12.723 1.00 40.54 N ATOM 1365 CA VAL A 85 1.458 -8.807 -12.994 1.00 51.54 C ATOM 1366 C VAL A 85 2.704 -8.109 -12.432 1.00 64.44 C ATOM 1367 O VAL A 85 3.179 -7.140 -13.022 1.00 0.43 O ATOM 1368 CB VAL A 85 0.141 -8.182 -12.500 1.00 33.50 C ATOM 1369 CG1 VAL A 85 0.034 -8.143 -10.972 1.00 32.41 C ATOM 1370 CG2 VAL A 85 -0.043 -6.765 -13.064 1.00 2.11 C ATOM 0 H VAL A 85 0.679 -10.564 -12.171 1.00 40.54 H new ATOM 0 HA VAL A 85 1.499 -8.657 -14.073 1.00 51.54 H new ATOM 0 HB VAL A 85 -0.655 -8.829 -12.869 1.00 33.50 H new ATOM 0 HG11 VAL A 85 -0.916 -7.692 -10.685 1.00 32.41 H new ATOM 0 HG12 VAL A 85 0.087 -9.158 -10.578 1.00 32.41 H new ATOM 0 HG13 VAL A 85 0.854 -7.552 -10.565 1.00 32.41 H new ATOM 0 HG21 VAL A 85 -0.981 -6.347 -12.699 1.00 2.11 H new ATOM 0 HG22 VAL A 85 0.785 -6.134 -12.741 1.00 2.11 H new ATOM 0 HG23 VAL A 85 -0.064 -6.807 -14.153 1.00 2.11 H new ATOM 1380 N THR A 86 3.254 -8.618 -11.318 1.00 44.13 N ATOM 1381 CA THR A 86 4.506 -8.132 -10.750 1.00 13.43 C ATOM 1382 C THR A 86 5.678 -8.370 -11.710 1.00 34.40 C ATOM 1383 O THR A 86 6.534 -7.500 -11.859 1.00 40.32 O ATOM 1384 CB THR A 86 4.775 -8.785 -9.386 1.00 3.01 C ATOM 1385 OG1 THR A 86 4.878 -10.189 -9.504 1.00 62.34 O ATOM 1386 CG2 THR A 86 3.688 -8.431 -8.368 1.00 54.55 C ATOM 0 H THR A 86 2.834 -9.382 -10.789 1.00 44.13 H new ATOM 0 HA THR A 86 4.411 -7.057 -10.600 1.00 13.43 H new ATOM 0 HB THR A 86 5.726 -8.390 -9.027 1.00 3.01 H new ATOM 0 HG1 THR A 86 4.009 -10.598 -9.311 1.00 62.34 H new ATOM 0 HG21 THR A 86 3.912 -8.911 -7.415 1.00 54.55 H new ATOM 0 HG22 THR A 86 3.656 -7.350 -8.231 1.00 54.55 H new ATOM 0 HG23 THR A 86 2.721 -8.780 -8.732 1.00 54.55 H new ATOM 1394 N LEU A 87 5.713 -9.543 -12.359 1.00 72.25 N ATOM 1395 CA LEU A 87 6.743 -9.909 -13.322 1.00 31.50 C ATOM 1396 C LEU A 87 6.424 -9.305 -14.694 1.00 60.34 C ATOM 1397 O LEU A 87 5.383 -8.677 -14.883 1.00 55.12 O ATOM 1398 CB LEU A 87 6.847 -11.440 -13.428 1.00 41.02 C ATOM 1399 CG LEU A 87 6.999 -12.170 -12.082 1.00 74.23 C ATOM 1400 CD1 LEU A 87 6.897 -13.681 -12.318 1.00 60.32 C ATOM 1401 CD2 LEU A 87 8.337 -11.834 -11.413 1.00 51.03 C ATOM 0 H LEU A 87 5.012 -10.271 -12.222 1.00 72.25 H new ATOM 0 HA LEU A 87 7.700 -9.514 -12.980 1.00 31.50 H new ATOM 0 HB2 LEU A 87 5.957 -11.817 -13.931 1.00 41.02 H new ATOM 0 HB3 LEU A 87 7.700 -11.690 -14.059 1.00 41.02 H new ATOM 0 HG LEU A 87 6.202 -11.841 -11.415 1.00 74.23 H new ATOM 0 HD11 LEU A 87 7.004 -14.206 -11.369 1.00 60.32 H new ATOM 0 HD12 LEU A 87 5.927 -13.916 -12.755 1.00 60.32 H new ATOM 0 HD13 LEU A 87 7.688 -13.997 -12.998 1.00 60.32 H new ATOM 0 HD21 LEU A 87 8.413 -12.366 -10.464 1.00 51.03 H new ATOM 0 HD22 LEU A 87 9.156 -12.137 -12.065 1.00 51.03 H new ATOM 0 HD23 LEU A 87 8.394 -10.761 -11.233 1.00 51.03 H new ATOM 1413 N SER A 88 7.332 -9.519 -15.652 1.00 41.23 N ATOM 1414 CA SER A 88 7.183 -9.130 -17.048 1.00 1.24 C ATOM 1415 C SER A 88 7.465 -10.340 -17.936 1.00 40.44 C ATOM 1416 O SER A 88 6.670 -10.666 -18.815 1.00 40.05 O ATOM 1417 CB SER A 88 8.138 -7.977 -17.375 1.00 74.51 C ATOM 1418 OG SER A 88 7.794 -6.833 -16.623 1.00 44.23 O ATOM 0 H SER A 88 8.220 -9.984 -15.464 1.00 41.23 H new ATOM 0 HA SER A 88 6.165 -8.787 -17.231 1.00 1.24 H new ATOM 0 HB2 SER A 88 9.164 -8.271 -17.155 1.00 74.51 H new ATOM 0 HB3 SER A 88 8.093 -7.749 -18.440 1.00 74.51 H new ATOM 0 HG SER A 88 8.411 -6.103 -16.838 1.00 44.23 H new ATOM 1424 N GLN A 89 8.602 -11.002 -17.692 1.00 24.40 N ATOM 1425 CA GLN A 89 9.033 -12.183 -18.422 1.00 42.41 C ATOM 1426 C GLN A 89 8.416 -13.428 -17.776 1.00 3.11 C ATOM 1427 O GLN A 89 8.195 -13.436 -16.564 1.00 72.31 O ATOM 1428 CB GLN A 89 10.566 -12.260 -18.397 1.00 52.15 C ATOM 1429 CG GLN A 89 11.193 -11.050 -19.104 1.00 20.11 C ATOM 1430 CD GLN A 89 12.717 -11.131 -19.164 1.00 52.21 C ATOM 1431 OE1 GLN A 89 13.342 -11.887 -18.422 1.00 23.25 O ATOM 1432 NE2 GLN A 89 13.322 -10.345 -20.058 1.00 75.33 N ATOM 0 H GLN A 89 9.257 -10.719 -16.964 1.00 24.40 H new ATOM 0 HA GLN A 89 8.703 -12.128 -19.459 1.00 42.41 H new ATOM 0 HB2 GLN A 89 10.914 -12.302 -17.365 1.00 52.15 H new ATOM 0 HB3 GLN A 89 10.895 -13.179 -18.882 1.00 52.15 H new ATOM 0 HG2 GLN A 89 10.796 -10.980 -20.117 1.00 20.11 H new ATOM 0 HG3 GLN A 89 10.901 -10.138 -18.583 1.00 20.11 H new ATOM 0 HE21 GLN A 89 12.768 -9.732 -20.655 1.00 75.33 H new ATOM 0 HE22 GLN A 89 14.338 -10.358 -20.143 1.00 75.33 H new ATOM 1441 N PRO A 90 8.151 -14.490 -18.555 1.00 51.41 N ATOM 1442 CA PRO A 90 7.672 -15.755 -18.026 1.00 12.50 C ATOM 1443 C PRO A 90 8.781 -16.393 -17.192 1.00 41.33 C ATOM 1444 O PRO A 90 9.870 -16.642 -17.706 1.00 3.10 O ATOM 1445 CB PRO A 90 7.332 -16.602 -19.255 1.00 13.13 C ATOM 1446 CG PRO A 90 8.272 -16.067 -20.334 1.00 22.33 C ATOM 1447 CD PRO A 90 8.370 -14.582 -19.991 1.00 52.24 C ATOM 0 HA PRO A 90 6.802 -15.651 -17.378 1.00 12.50 H new ATOM 0 HB2 PRO A 90 7.499 -17.663 -19.069 1.00 13.13 H new ATOM 0 HB3 PRO A 90 6.287 -16.489 -19.543 1.00 13.13 H new ATOM 0 HG2 PRO A 90 9.246 -16.555 -20.300 1.00 22.33 H new ATOM 0 HG3 PRO A 90 7.871 -16.225 -21.335 1.00 22.33 H new ATOM 0 HD2 PRO A 90 9.346 -14.182 -20.264 1.00 52.24 H new ATOM 0 HD3 PRO A 90 7.625 -14.005 -20.538 1.00 52.24 H new ATOM 1455 N LYS A 91 8.513 -16.647 -15.905 1.00 31.30 N ATOM 1456 CA LYS A 91 9.471 -17.309 -15.037 1.00 4.52 C ATOM 1457 C LYS A 91 9.440 -18.797 -15.373 1.00 40.13 C ATOM 1458 O LYS A 91 8.557 -19.519 -14.916 1.00 71.41 O ATOM 1459 CB LYS A 91 9.135 -17.011 -13.569 1.00 5.10 C ATOM 1460 CG LYS A 91 10.040 -17.719 -12.551 1.00 4.52 C ATOM 1461 CD LYS A 91 11.513 -17.312 -12.685 1.00 65.21 C ATOM 1462 CE LYS A 91 12.363 -17.849 -11.527 1.00 32.15 C ATOM 1463 NZ LYS A 91 12.019 -17.211 -10.243 1.00 71.43 N ATOM 0 H LYS A 91 7.635 -16.400 -15.449 1.00 31.30 H new ATOM 0 HA LYS A 91 10.485 -16.942 -15.193 1.00 4.52 H new ATOM 0 HB2 LYS A 91 9.199 -15.935 -13.406 1.00 5.10 H new ATOM 0 HB3 LYS A 91 8.101 -17.301 -13.380 1.00 5.10 H new ATOM 0 HG2 LYS A 91 9.694 -17.490 -11.543 1.00 4.52 H new ATOM 0 HG3 LYS A 91 9.952 -18.798 -12.681 1.00 4.52 H new ATOM 0 HD2 LYS A 91 11.908 -17.686 -13.629 1.00 65.21 H new ATOM 0 HD3 LYS A 91 11.588 -16.225 -12.716 1.00 65.21 H new ATOM 0 HE2 LYS A 91 12.223 -18.927 -11.445 1.00 32.15 H new ATOM 0 HE3 LYS A 91 13.418 -17.680 -11.744 1.00 32.15 H new ATOM 0 HZ1 LYS A 91 12.751 -17.433 -9.538 1.00 71.43 H new ATOM 0 HZ2 LYS A 91 11.963 -16.180 -10.371 1.00 71.43 H new ATOM 0 HZ3 LYS A 91 11.100 -17.569 -9.913 1.00 71.43 H new ATOM 1477 N ILE A 92 10.402 -19.234 -16.196 1.00 21.23 N ATOM 1478 CA ILE A 92 10.568 -20.622 -16.594 1.00 42.34 C ATOM 1479 C ILE A 92 11.209 -21.359 -15.421 1.00 23.42 C ATOM 1480 O ILE A 92 12.433 -21.454 -15.334 1.00 11.23 O ATOM 1481 CB ILE A 92 11.418 -20.717 -17.879 1.00 51.04 C ATOM 1482 CG1 ILE A 92 10.901 -19.816 -19.016 1.00 13.45 C ATOM 1483 CG2 ILE A 92 11.514 -22.175 -18.356 1.00 71.23 C ATOM 1484 CD1 ILE A 92 9.421 -20.019 -19.354 1.00 33.33 C ATOM 0 H ILE A 92 11.098 -18.612 -16.608 1.00 21.23 H new ATOM 0 HA ILE A 92 9.608 -21.082 -16.829 1.00 42.34 H new ATOM 0 HB ILE A 92 12.412 -20.353 -17.618 1.00 51.04 H new ATOM 0 HG12 ILE A 92 11.059 -18.774 -18.739 1.00 13.45 H new ATOM 0 HG13 ILE A 92 11.495 -20.002 -19.911 1.00 13.45 H new ATOM 0 HG21 ILE A 92 12.117 -22.222 -19.263 1.00 71.23 H new ATOM 0 HG22 ILE A 92 11.979 -22.782 -17.579 1.00 71.23 H new ATOM 0 HG23 ILE A 92 10.514 -22.556 -18.565 1.00 71.23 H new ATOM 0 HD11 ILE A 92 9.137 -19.347 -20.164 1.00 33.33 H new ATOM 0 HD12 ILE A 92 9.257 -21.051 -19.664 1.00 33.33 H new ATOM 0 HD13 ILE A 92 8.814 -19.804 -18.475 1.00 33.33 H new ATOM 1496 N VAL A 93 10.374 -21.863 -14.507 1.00 63.55 N ATOM 1497 CA VAL A 93 10.846 -22.613 -13.358 1.00 51.53 C ATOM 1498 C VAL A 93 11.385 -23.953 -13.847 1.00 13.32 C ATOM 1499 O VAL A 93 10.803 -24.562 -14.740 1.00 44.31 O ATOM 1500 CB VAL A 93 9.724 -22.810 -12.330 1.00 43.53 C ATOM 1501 CG1 VAL A 93 10.280 -23.579 -11.126 1.00 65.21 C ATOM 1502 CG2 VAL A 93 9.168 -21.462 -11.856 1.00 42.21 C ATOM 0 H VAL A 93 9.360 -21.759 -14.549 1.00 63.55 H new ATOM 0 HA VAL A 93 11.640 -22.059 -12.858 1.00 51.53 H new ATOM 0 HB VAL A 93 8.915 -23.370 -12.800 1.00 43.53 H new ATOM 0 HG11 VAL A 93 9.489 -23.724 -10.390 1.00 65.21 H new ATOM 0 HG12 VAL A 93 10.652 -24.549 -11.454 1.00 65.21 H new ATOM 0 HG13 VAL A 93 11.095 -23.011 -10.676 1.00 65.21 H new ATOM 0 HG21 VAL A 93 8.374 -21.631 -11.128 1.00 42.21 H new ATOM 0 HG22 VAL A 93 9.966 -20.881 -11.394 1.00 42.21 H new ATOM 0 HG23 VAL A 93 8.767 -20.914 -12.709 1.00 42.21 H new ATOM 1512 N LYS A 94 12.501 -24.397 -13.265 1.00 73.14 N ATOM 1513 CA LYS A 94 13.132 -25.660 -13.601 1.00 44.44 C ATOM 1514 C LYS A 94 12.800 -26.658 -12.497 1.00 2.13 C ATOM 1515 O LYS A 94 13.384 -26.593 -11.416 1.00 33.10 O ATOM 1516 CB LYS A 94 14.643 -25.460 -13.761 1.00 20.21 C ATOM 1517 CG LYS A 94 14.951 -24.451 -14.878 1.00 75.11 C ATOM 1518 CD LYS A 94 16.458 -24.256 -15.078 1.00 4.20 C ATOM 1519 CE LYS A 94 17.133 -25.478 -15.712 1.00 34.20 C ATOM 1520 NZ LYS A 94 18.560 -25.224 -15.970 1.00 1.22 N ATOM 0 H LYS A 94 12.993 -23.877 -12.538 1.00 73.14 H new ATOM 0 HA LYS A 94 12.760 -26.046 -14.550 1.00 44.44 H new ATOM 0 HB2 LYS A 94 15.068 -25.108 -12.821 1.00 20.21 H new ATOM 0 HB3 LYS A 94 15.118 -26.415 -13.988 1.00 20.21 H new ATOM 0 HG2 LYS A 94 14.503 -24.795 -15.810 1.00 75.11 H new ATOM 0 HG3 LYS A 94 14.490 -23.493 -14.638 1.00 75.11 H new ATOM 0 HD2 LYS A 94 16.627 -23.384 -15.710 1.00 4.20 H new ATOM 0 HD3 LYS A 94 16.924 -24.047 -14.115 1.00 4.20 H new ATOM 0 HE2 LYS A 94 17.028 -26.338 -15.051 1.00 34.20 H new ATOM 0 HE3 LYS A 94 16.631 -25.730 -16.646 1.00 34.20 H new ATOM 0 HZ1 LYS A 94 18.991 -26.068 -16.399 1.00 1.22 H new ATOM 0 HZ2 LYS A 94 18.657 -24.417 -16.619 1.00 1.22 H new ATOM 0 HZ3 LYS A 94 19.042 -25.007 -15.074 1.00 1.22 H new ATOM 1534 N TRP A 95 11.852 -27.564 -12.775 1.00 25.43 N ATOM 1535 CA TRP A 95 11.464 -28.645 -11.881 1.00 12.33 C ATOM 1536 C TRP A 95 12.700 -29.418 -11.425 1.00 23.24 C ATOM 1537 O TRP A 95 13.412 -29.994 -12.248 1.00 55.25 O ATOM 1538 CB TRP A 95 10.510 -29.605 -12.601 1.00 40.01 C ATOM 1539 CG TRP A 95 10.281 -30.916 -11.902 1.00 53.54 C ATOM 1540 CD1 TRP A 95 9.853 -31.084 -10.629 1.00 0.23 C ATOM 1541 CD2 TRP A 95 10.594 -32.253 -12.387 1.00 15.23 C ATOM 1542 NE1 TRP A 95 9.875 -32.421 -10.295 1.00 52.42 N ATOM 1543 CE2 TRP A 95 10.344 -33.189 -11.342 1.00 14.21 C ATOM 1544 CE3 TRP A 95 11.095 -32.763 -13.602 1.00 33.42 C ATOM 1545 CZ2 TRP A 95 10.588 -34.562 -11.495 1.00 14.20 C ATOM 1546 CZ3 TRP A 95 11.341 -34.140 -13.767 1.00 60.44 C ATOM 1547 CH2 TRP A 95 11.093 -35.038 -12.715 1.00 45.22 C ATOM 0 H TRP A 95 11.327 -27.559 -13.649 1.00 25.43 H new ATOM 0 HA TRP A 95 10.963 -28.215 -11.014 1.00 12.33 H new ATOM 0 HB2 TRP A 95 9.549 -29.108 -12.732 1.00 40.01 H new ATOM 0 HB3 TRP A 95 10.904 -29.806 -13.597 1.00 40.01 H new ATOM 0 HD1 TRP A 95 9.540 -30.287 -9.971 1.00 0.23 H new ATOM 0 HE1 TRP A 95 9.583 -32.794 -9.392 1.00 52.42 H new ATOM 0 HE3 TRP A 95 11.294 -32.086 -14.420 1.00 33.42 H new ATOM 0 HZ2 TRP A 95 10.389 -35.245 -10.683 1.00 14.20 H new ATOM 0 HZ3 TRP A 95 11.723 -34.508 -14.708 1.00 60.44 H new ATOM 0 HH2 TRP A 95 11.290 -36.092 -12.845 1.00 45.22 H new ATOM 1558 N ASP A 96 12.930 -29.437 -10.111 1.00 42.03 N ATOM 1559 CA ASP A 96 14.004 -30.204 -9.505 1.00 71.22 C ATOM 1560 C ASP A 96 13.525 -31.635 -9.269 1.00 63.52 C ATOM 1561 O ASP A 96 12.432 -31.847 -8.749 1.00 24.13 O ATOM 1562 CB ASP A 96 14.446 -29.540 -8.198 1.00 21.20 C ATOM 1563 CG ASP A 96 15.717 -30.191 -7.655 1.00 41.33 C ATOM 1564 OD1 ASP A 96 15.586 -31.229 -6.972 1.00 53.22 O ATOM 1565 OD2 ASP A 96 16.804 -29.647 -7.953 1.00 61.41 O ATOM 0 H ASP A 96 12.369 -28.915 -9.438 1.00 42.03 H new ATOM 0 HA ASP A 96 14.866 -30.232 -10.171 1.00 71.22 H new ATOM 0 HB2 ASP A 96 14.621 -28.478 -8.367 1.00 21.20 H new ATOM 0 HB3 ASP A 96 13.649 -29.618 -7.459 1.00 21.20 H new ATOM 1570 N ARG A 97 14.360 -32.608 -9.650 1.00 31.33 N ATOM 1571 CA ARG A 97 14.127 -34.027 -9.428 1.00 1.10 C ATOM 1572 C ARG A 97 14.459 -34.396 -7.977 1.00 40.34 C ATOM 1573 O ARG A 97 15.470 -35.043 -7.705 1.00 44.24 O ATOM 1574 CB ARG A 97 14.880 -34.877 -10.470 1.00 20.31 C ATOM 1575 CG ARG A 97 16.235 -34.337 -10.964 1.00 52.34 C ATOM 1576 CD ARG A 97 17.284 -34.160 -9.861 1.00 0.00 C ATOM 1577 NE ARG A 97 18.529 -33.593 -10.392 1.00 52.21 N ATOM 1578 CZ ARG A 97 18.785 -32.279 -10.527 1.00 14.32 C ATOM 1579 NH1 ARG A 97 17.867 -31.355 -10.210 1.00 23.10 N ATOM 1580 NH2 ARG A 97 19.981 -31.887 -10.986 1.00 12.54 N ATOM 0 H ARG A 97 15.238 -32.418 -10.134 1.00 31.33 H new ATOM 0 HA ARG A 97 13.070 -34.251 -9.572 1.00 1.10 H new ATOM 0 HB2 ARG A 97 15.044 -35.867 -10.045 1.00 20.31 H new ATOM 0 HB3 ARG A 97 14.230 -35.006 -11.336 1.00 20.31 H new ATOM 0 HG2 ARG A 97 16.630 -35.017 -11.719 1.00 52.34 H new ATOM 0 HG3 ARG A 97 16.073 -33.376 -11.453 1.00 52.34 H new ATOM 0 HD2 ARG A 97 16.889 -33.508 -9.082 1.00 0.00 H new ATOM 0 HD3 ARG A 97 17.491 -35.124 -9.395 1.00 0.00 H new ATOM 0 HE ARG A 97 19.257 -34.246 -10.681 1.00 52.21 H new ATOM 0 HH11 ARG A 97 16.954 -31.643 -9.859 1.00 23.10 H new ATOM 0 HH12 ARG A 97 18.082 -30.364 -10.320 1.00 23.10 H new ATOM 0 HH21 ARG A 97 20.687 -32.582 -11.229 1.00 12.54 H new ATOM 0 HH22 ARG A 97 20.186 -30.893 -11.092 1.00 12.54 H new